Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | METAP2 | P50579 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1331328 | 0.74 | KDM4E (0.50) | NISCHMETAP2HTTCYP1A2HSP90AA1 | |
| SCHEMBL78566 | 0.68 | NISCH (0.50) | NISCHCYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL29454745 | 0.68 | NISCH (0.50) | NISCHCYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL29598957 | 0.68 | NISCH (0.50) | NISCHCYP2D6CYP19A1CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL3640139 | 0.66 | NISCH (0.48) | NISCHCYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL9794662 | 0.66 | NISCH (0.48) | NISCHCYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL14053846 | 0.66 | NISCH (0.48) | NISCHCYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL31372462 | 0.66 | NISCH (0.48) | NISCHCYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL359859 | 0.65 | METAP2 (0.37) | NISCHCYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL15809743 | 0.65 | NISCH (0.34) | NISCHCYP2D6CYP19A1CYP2C9CYP2C19 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7468367-B2 | Ethylene diamine derivatives and their use as orexin-receptor antagonists | SMITHKLINE BEECHAM P.L.C. (GB) | 2008-12-23 | — | — | US | claimed |
| EP-3481831-A1 | NOVEL 4-AMINOPYRAZOLO[3,4-d]PYRIMIDINYLAZABICYCLO DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | Daewoong Pharmaceutical Co., Ltd. (KR) | 2019-05-15 | — | — | EP | disclosed |
| WO-2018009017-A1 | NOVEL 4-AMINOPYRAZOLO[3,4-d]PYRIMIDINYLAZABICYCLO DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | DAEWOONG PHARMACEUTICAL CO., LTD. (KR) | 2018-01-11 | — | — | WO | disclosed |
| US-20150031685-A1 | SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS | Dr. Reeddy's Laboratories Ltd. (IN) | 2015-01-29 | — | — | US | disclosed |
| CN-102834390-B | Diazinylpyrazolyl compounds | BAYER CROPSCIENCE AG | 2014-11-12 | — | — | CN | disclosed |
| CN-102834390-B | Diazinylpyrazolyl compounds | BAYER CROPSCIENCE AG | 2014-11-12 | — | — | CN | disclosed |
| US-20140243340-A1 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | ABBVIE INC. (US) | 2014-08-28 | — | — | US | disclosed |
| US-8629273-B2 | Diazinylpyrazolyl compounds | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-01-14 | — | — | US | disclosed |
| US-8629273-B2 | Diazinylpyrazolyl compounds | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-01-14 | — | — | US | disclosed |
| US-8629273-B2 | Diazinylpyrazolyl compounds | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-01-14 | — | — | US | disclosed |
| EP-1289985-B1 | BETA-CARBOLINE DERIVATIVES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE | ORTHO MCNEIL PHARM INC (US) | 2003-12-10 | — | — | EP | disclosed |
| US-6635638-B2 | Treatment of sexual dysfunction, cardiovascular system disorders | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2003-10-21 | — | — | US | disclosed |
| US-20030166641-A1 | Beta-carboline derivatives useful as inhibitors of phosphodiesterase | SUI ZHIHUA (US) | 2003-09-04 | — | — | US | disclosed |
| EP-1296981-A2 | SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2003-04-02 | — | — | EP | disclosed |
| EP-1289985-A2 | BETA-CARBOLINE DERIVATIVES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE | Ortho-McNeil Pharmaceutical, Inc. (US) | 2003-03-12 | — | — | EP | disclosed |
| US-6492358-B2 | FOR TREATMENT OF SEXUAL DISORDERS, MALE ERECTILE DYSFUNCTION | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2002-12-10 | — | — | US | disclosed |
| US-20020010189-A1 | beta-carboline derivatives useful as inhibitors of phosphodiesterase | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2002-01-24 | — | — | US | disclosed |
| US-20020010183-A1 | Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2002-01-24 | — | — | US | disclosed |
| WO-2001087038-A2 | β-CARBOLINE DERIVATIVES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-11-22 | — | — | WO | disclosed |
| WO-2001087882-A2 | SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-11-22 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20150031685-A1 | SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS | OPRK1, OPRL1, OPRD1 | NISCH 2120/4885CYP2D6 657/4885CYP19A1 953/4885 |
| US-20020010189-A1 | beta-carboline derivatives useful as inhibitors of phosphodiesterase | PDE3B, PDE5A, PDE3A | NISCH 1910/4885CYP2D6 961/4885CYP19A1 72/4885 |
| US-20020010183-A1 | Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors | PDE5A, PDE3A, PDE3B | NISCH 2707/4885CYP2D6 456/4885CYP19A1 24/4885 |
| US-20030166641-A1 | Beta-carboline derivatives useful as inhibitors of phosphodiesterase | PDE3B, PDE5A, PDE3A | NISCH 1910/4885CYP2D6 961/4885CYP19A1 72/4885 |
| US-20140243340-A1 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | CYP3A43, CYP3A5, POR | NISCH 842/4885CYP2D6 5/4885CYP19A1 49/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.