Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | MAOB | P27338 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.42 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.42 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL533148 | 0.85 | ALDH1A1 (0.49) | CYP2A6CYP1A2CA2MAOBKDM4E | |
| SCHEMBL5540550 | 0.80 | CYP1A2 (0.45) | CYP1A2KDM4EALDH1A1HPGDNPC1 | |
| SCHEMBL533195 | 0.77 | ALOX15 (0.34) | ALDH1A1HPGDMAPT | |
| SCHEMBL17541074 | 0.74 | KDM4E (0.49) | MAOBKDM4EALDH1A1MAPT | |
| SCHEMBL207520 | 0.74 | CYP2A6 (0.44) | CYP2A6CYP1A2CA2MAOBKDM4E | |
| SCHEMBL1473354 | 0.72 | MCL1 (0.44) | CYP1A2KDM4EALDH1A1HPGDNPC1 | |
| SCHEMBL17338669 | 0.72 | ALOX5 (0.58) | CYP1A2CA2MAOBNPC1CASP3 | |
| SCHEMBL23728240 | 0.72 | KDM4E (0.57) | MAOBKDM4EALDH1A1HPGDNPC1 | |
| SCHEMBL9781726 | 0.72 | CYP2A6 (0.58) | CYP2A6PDE3BPDE3ACA2MAOB | |
| SCHEMBL2249185 | 0.71 | CYP1A2 (0.71) | CYP2A6CYP1A2CA2KDM4ENPC1 |
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 247 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118164975-A | Quaternary ammonium salt oxazolidinone derivative and pharmaceutically acceptable salt thereof, preparation method and application | 中国医学科学院医药生物技术研究所 | 2024-06-11 | — | — | CN | claimed |
| EP-3197277-B1 | PROBES FOR IMAGING HUNTINGTIN PROTEIN | CHDI FOUNDATION INC (US) | 2021-12-22 | — | — | EP | claimed |
| EP-3176163-B1 | NOVEL INDENE DERIVATIVE, PREPARATION METHOD FOR SAME, AND PHARMACEUTICAL COMPOSITION, FOR PREVENTING OR TREATING RETINAL DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT | IAC IN NAT UNIV CHUNGNAM (KR) | 2019-04-17 | — | — | EP | claimed |
| US-20170283439-A1 | PROBES FOR IMAGING HUNTINGTIN PROTEIN | CCHDI Foundation Inc. (US) | 2017-10-05 | — | — | US | claimed |
| EP-3197277-A1 | PROBES FOR IMAGING HUNTINGTIN PROTEIN | CHDI Foundation, Inc. (US) | 2017-08-02 | — | — | EP | claimed |
| WO-2016033440-A1 | PROBES FOR IMAGING HUNTINGTIN PROTEIN | CHDI FOUNDATION, INC. (US) | 2016-03-03 | — | — | WO | claimed |
| EP-2791120-B1 | 1,3,5 -TRIAZINE-2-AMINE DERIVATIVES, PREPARATION THEREOF AND DIAGNOSTIC AND THERAPEUTIC USE THEREOF | SANOFI SA (FR) | 2016-02-24 | — | — | EP | claimed |
| EP-1778639-B1 | ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | ALBANY MOLECULAR RES INC (US) | 2015-09-02 | — | — | EP | claimed |
| US-9115121-B2 | 1,3,5-triazine-2-amine derivatives, preparation thereof and diagnostic and therapeutic use thereof | SANOFI (FR) | 2015-08-25 | — | — | US | claimed |
| US-20140343061-A1 | 1,3,5 -Triazine-2-Amine Derivatives, Preparation Thereof And Diagnostic And Therapeutic Use Thereof | SANOFI (FR) | 2014-11-20 | — | — | US | claimed |
| US-6462076-B2 | CYSTEINE PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES ASSOCIATED WITH CYSTEINE PROTEASES, SUCH AS OSTEOPOROSIS, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, TUMOR METASTASIS, ANGINA PECTORIS, PLAQUE RUPTURE AND STROKE ETC. | HOFFMANN-LA ROCHE INC. | 2002-10-08 | — | — | US | claimed |
| EP-1158986-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2002-03-27 | — | — | EP | claimed |
| WO-2002023784-A2 | CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-03-21 | — | — | WO | claimed |
| US-20020016361-A1 | Beta-amino acid nitrile derivatives as cathepsin K inhibitors | HOFFMANN-LA ROCHE INC. | 2002-02-07 | — | — | US | claimed |
| WO-2002006270-A1 | NOVEL 6-HETEROARYLPHENANTHRIDINES | ALTANA PHARMA AG (DE) | 2002-01-24 | — | — | WO | claimed |
| WO-2001096285-A1 | BETA-AMINO ACID NITRILE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-12-20 | — | — | WO | claimed |
| WO-2001095911-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-12-20 | — | — | WO | claimed |
| EP-1158986-A1 | PROTEASE INHIBITORS | SmithKline Beecham Corporation (US) | 2001-12-05 | — | — | EP | claimed |
| WO-2001070232-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-09-27 | — | — | WO | claimed |
| WO-2000038687-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-07-06 | — | — | WO | claimed |
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-20140343061-A1 | 1,3,5 -Triazine-2-Amine Derivatives, Preparation Thereof And Diagnostic And Therapeutic Use Thereof | ALK, HRH3, HRH4 | CYP2A6 1910/4885CYP1A2 222/4885PDE3B 3468/4885 |
| US-20020016361-A1 | Beta-amino acid nitrile derivatives as cathepsin K inhibitors | CTSK, CTSH, UACA | CYP2A6 3303/4885CYP1A2 4398/4885PDE3B 3249/4885 |
| US-20170283439-A1 | PROBES FOR IMAGING HUNTINGTIN PROTEIN | HTT, HYPK, HSPBP1 | CYP2A6 4875/4885CYP1A2 4836/4885PDE3B 4170/4885 |
“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.