Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 13/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL208143 | 0.83 | CYP1A2 (0.44) | CYP2A6CYP1A2ALDH1A1MAOBADORA3 | |
| SCHEMBL316967 | 0.76 | MAPT (0.46) | ALDH1A1TDP1KDM4EMAPTNPC1 | |
| SCHEMBL533008 | 0.75 | AKR1C3 (0.32) | — | |
| SCHEMBL146387 | 0.74 | CYP2A6 (0.40) | CYP2A6ALDH1A1KDM4EMAPTCA12 | |
| SCHEMBL207632 | 0.74 | MAOB (0.41) | CYP2A6CYP1A2ALDH1A1MAOBKDM4E | |
| SCHEMBL3378032 | 0.74 | CA12 (0.42) | CYP1A2ALDH1A1MAOBTDP1KDM4E | |
| SCHEMBL4146968 | 0.74 | ALDH1A1 (0.41) | CYP1A2ALDH1A1ADORA3TDP1KDM4E | |
| SCHEMBL5535202 | 0.74 | ALDH1A1 (0.37) | CYP1A2ALDH1A1TDP1KDM4EMAPT | |
| SCHEMBL533282 | 0.74 | CYP2A6 (0.47) | CYP2A6CYP1A2ALDH1A1MAOBKDM4E | |
| SCHEMBL5540550 | 0.70 | CYP1A2 (0.45) | CYP1A2ALDH1A1TDP1KDM4EMAPT |
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 202 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 |
| CN-109997061-B | Optical laminate, circularly polarizing plate, touch panel, and image display device | 日本瑞翁株式会社 | 2022-07-15 | — | — | CN | claimed |
| EP-1577301-B1 | Antithrombotic diaminocyclohexane derivatives | DAIICHI SANKYO CO LTD (JP) | 2012-09-12 | — | — | EP | claimed |
| EP-1270557-B1 | ETHYLENEDIAMINE DERIVATIVES | DAIICHI SANKYO CO LTD (JP) | 2012-07-25 | — | — | EP | claimed |
| EP-2477981-A1 | HETEROCYCLIC MGLU5 ANTAGONISTS | Recordati Ireland Limited (IE) | 2012-07-25 | — | — | EP | claimed |
| US-20120028931-A1 | HETEROCYCLIC M-GLU5 ANTAGONISTS | RECORDATI IRELAND LIMITED (IE) | 2012-02-02 | — | — | US | claimed |
| US-20090239857-A1 | TRIAMINE DERIVATIVE | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2009-09-24 | — | — | US | claimed |
| US-7576135-B2 | Diamine derivatives | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2009-08-18 | — | — | US | claimed |
| EP-1864982-A1 | TRIAMINE DERIVATIVE | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-12-12 | — | — | EP | claimed |
| US-20070129371-A1 | Novel ethylenediamine derivatives | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-06-07 | — | — | US | claimed |
| US-6936611-B2 | Serine protease inhibitors | ELI LILLY AND COMPANY (US) | 2005-08-30 | — | — | US | claimed |
| US-20050119486-A1 | Diamine derivatives | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2005-06-02 | — | — | US | claimed |
| US-20050032790-A1 | For example, 1-(2-Amino-4-chlorobenzoyl-D-phenylglycinyl)-4,4'-bispiperidine; for treatment of thrombosis, emphysema, cirrhosis; antiarthritic agents, anticancer agents, antihistamines | LIEBESCHUETZ JOHN WALTER (GB) | 2005-02-10 | — | — | US | claimed |
| US-20050020645-A1 | Diamine derivatives | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2005-01-27 | — | — | US | claimed |
| EP-1289950-B1 | SERINE PROTEASE INHIBITORS | LILLY CO ELI (US) | 2004-09-08 | — | — | EP | claimed |
| EP-1289972-B1 | SERINE PROTEASE INHIBITORS | LILLY CO ELI (US) | 2004-09-08 | — | — | EP | claimed |
| US-20040122063-A1 | Ethylenediamine derivatives | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2004-06-24 | — | — | US | claimed |
| EP-1415992-A1 | DIAMINE DERIVATIVES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2004-05-06 | — | — | EP | claimed |
| EP-1405852-A1 | DIAMINE DERIVATIVES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2004-04-07 | — | — | EP | claimed |
| EP-1270557-A1 | ETHYLENEDIAMINE DERIVATIVES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2003-01-02 | — | — | EP | 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 (7 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-20070129371-A1 | Novel ethylenediamine derivatives | C1R, C9, C1S | CYP2A6 2627/4885CYP1A2 3302/4885ALDH1A1 4310/4885 |
| US-20090239857-A1 | TRIAMINE DERIVATIVE | F2, F12, F3 | CYP2A6 246/4885CYP1A2 95/4885ALDH1A1 1780/4885 |
| US-20050020645-A1 | Diamine derivatives | C9, C1S, C1R | CYP2A6 2751/4885CYP1A2 2631/4885ALDH1A1 3319/4885 |
| US-20050032790-A1 | For example, 1-(2-Amino-4-chlorobenzoyl-D-phenylglycinyl)-4,4'-bispiperidine; for treatment of thrombosis, emphysema, cirrhosis; antiarthritic agents, anticancer agents, antihistamines | SERPINB1, SERPINE1, SERPINH1 | CYP2A6 1633/4885CYP1A2 728/4885ALDH1A1 2527/4885 |
| US-20050119486-A1 | Diamine derivatives | C9, C1S, C1R | CYP2A6 2751/4885CYP1A2 2631/4885ALDH1A1 3319/4885 |
| US-20120028931-A1 | HETEROCYCLIC M-GLU5 ANTAGONISTS | OPRM1, GRM5, OPRD1 | CYP2A6 1688/4885CYP1A2 1668/4885ALDH1A1 2610/4885 |
| US-20040122063-A1 | Ethylenediamine derivatives | ECE1, F2, ECE2 | CYP2A6 1405/4885CYP1A2 273/4885ALDH1A1 2109/4885 |
“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.