Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.60 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.60 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | USP2 | O75604 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.53 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | APP | P05067 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8614017 | 0.87 | CYP2A6 (0.55) | CYP2A6IMPDH2HPGDHTTMEN1 | |
| SCHEMBL256668 | 0.83 | MEN1 (0.56) | CYP2A6IMPDH2HPGDHTTMEN1 | |
| SCHEMBL6159319 | 0.83 | MEN1 (0.56) | CYP2A6IMPDH2HPGDHTTMEN1 | |
| SCHEMBL27719415 | 0.82 | CYP2A6 (0.58) | CYP2A6IMPDH2HPGDHTTMEN1 | |
| SCHEMBL7541339 | 0.82 | CYP2A6 (0.53) | CYP2A6IMPDH2HPGDHTTMEN1 | |
| SCHEMBL11372556 | 0.81 | CYP2A6 (0.56) | CYP2A6IMPDH2HPGDHTTMEN1 | |
| SCHEMBL20309510 | 0.80 | MEN1 (0.54) | CYP2A6IMPDH2HPGDHTTMEN1 | |
| SCHEMBL1959662 | 0.79 | CYP2A6 (0.55) | CYP2A6IMPDH2HPGDHTTMEN1 | |
| SCHEMBL315329 | 0.79 | CYP2A6 (0.64) | CYP2A6IMPDH2HPGDHTTMEN1 | |
| SCHEMBL4603999 | 0.79 | CYP2A6 (0.50) | CYP2A6IMPDH2HPGDHTTMEN1 |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998033776-A1 | COMBINATORIAL LIBRARIES OF HYDANTOIN AND THIOHYDANTOIN DERIVATIVES, METHODS OF MAKING THE LIBRARIES AND COMPOUNDS THEREIN | TREGA BIOSCIENCES, INC. (US) | 1998-08-06 | — | — | WO | claimed |
| US-20150057247-A1 | PYRAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS | MUSC FOUNDATION FOR RESEARCH DEVELOPMENT | 2015-02-26 | — | — | US | disclosed |
| US-8921401-B2 | Pyrazole compounds, compositions and methods for treatment of degenerative diseases and disorders | MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) | 2014-12-30 | — | — | US | disclosed |
| US-20140274950-A1 | PYRAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS | MEDICAL UNIVERSITY OF SOUTH CAROLINA (US) | 2014-09-18 | — | — | US | disclosed |
| US-7662849-B2 | Amidino compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2010-02-16 | — | — | US | disclosed |
| EP-1761485-A1 | AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | Schering AG (DE) | 2007-03-14 | — | — | EP | disclosed |
| US-20060264464-A1 | Amidino compounds as cysteine protease inhibitors | QUEST DIAGNOSTICS INVESTMENTS LLC | 2006-11-23 | — | — | US | disclosed |
| WO-2004108661-A1 | AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS (US) | 2004-12-16 | — | — | WO | disclosed |
| EP-0890101-A4 | SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN | TORREY PINES INST (US) | 1999-12-08 | — | — | EP | disclosed |
| EP-0890101-A1 | SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1999-01-13 | — | — | EP | disclosed |
| WO-1997033174-A1 | SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1997-09-12 | — | — | WO | disclosed |
| US-5656604-A | HYPOTENSIVE AGENT; ENDOTHELIN ANTAGONIST | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1997-08-12 | — | — | US | disclosed |
| US-5430022-A | Endothelin antagonists; hypotensive agents; treatment for angina pectoris, brain disorders, asthma, renal failure | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1995-07-04 | — | — | US | disclosed |
| US-5284828-A | Hypotensive agents | FUJISAWA PHARMACEUTICAL CO. LTD. (JP) | 1994-02-08 | — | — | US | disclosed |
| EP-0457195-A2 | Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1991-11-21 | — | — | EP | disclosed |
| US-4260608-A | ANTIMICROBIAL, ANTIMITOTIC, AND ANTITUMOR AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1981-04-07 | — | — | US | disclosed |
| US-4256746-A | ANTITUMOR AGENTS; MICROBIOCIDES; MITOSIS | TAKEDA CHEMICAL INDUSTRIES (JP) | 1981-03-17 | — | — | US | disclosed |
| EP-0011276-A1 | Maytansinoids, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1980-05-28 | — | — | EP | disclosed |
| EP-0011277-A1 | Dechloromaytansinoids, their production and use and pharmaceutical compositions containing them | Takeda Chemical Industries, Ltd. (JP) | 1980-05-28 | — | — | EP | disclosed |
| US-4059583-A | CARDIAC RATE LOWERING | MCNEIL LABORATORIES, INCORPORATED (US) | 1977-11-22 | — | — | US | 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 (3 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-20060264464-A1 | Amidino compounds as cysteine protease inhibitors | CTSF, CTSB, CTSS | CYP2A6 2726/4885IMPDH2 4097/4885HPGD 1420/4885 |
| US-20140274950-A1 | PYRAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS | PPARG, PPARD, PC | CYP2A6 385/4885IMPDH2 2368/4885HPGD 72/4885 |
| US-20150057247-A1 | PYRAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS | PPARG, PPARD, PC | CYP2A6 385/4885IMPDH2 2368/4885HPGD 72/4885 |
“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.