Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | GRM8 | O00222 | 1/20 | 0.39 |
| ▸ | GRM6 | O15303 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11694875 | 0.82 | CES2 (0.41) | DAOCES2CES1KMT2AGSK3B | |
| SCHEMBL4245645 | 0.78 | CES2 (0.37) | DAOCES2CES1KMT2AMEN1 | |
| SCHEMBL11518982 | 0.78 | ALOX5 (0.51) | DAOKMT2AMEN1CYP2D6CYP2C9 | |
| SCHEMBL17459279 | 0.78 | DAO (0.47) | DAOCES2CES1KMT2AGSK3B | |
| SCHEMBL1679307 | 0.76 | CYP2C9 (0.53) | DAOCES2CES1KMT2ACYP2D6 | |
| SCHEMBL5212433 | 0.76 | GABBR2 (0.53) | DAOKMT2AMEN1CYP2D6CYP2C9 | |
| SCHEMBL4242299 | 0.76 | GABBR2 (0.41) | DAOCES2CES1KMT2AGSK3B | |
| Hydrochloric Acid SCHEMBL6655879 | 0.74 | GABBR2 (0.51) | DAOKMT2AMEN1CYP2D6CYP2C9 | |
| SCHEMBL23695302 | 0.74 | WRN (0.35) | DAOCES2CES1KMT2AALDH1A1 | |
| SCHEMBL11519390 | 0.72 | KMT2A (0.44) | KMT2AMEN1CYP2D6CYP2C9CYP2C19 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090124654-A1 | Aryl and Heteroaryl Compounds, Compositions, Methods of Use | TRANSTECH PHARMA, INC. | 2009-05-14 | — | — | US | disclosed |
| CN-101137650-A | 2- [ isoquinoline-S-carbonyl ] amino ] -propionic acid derivatives as inhibitors of factors XI and IX for the treatment of thrombosis | TRANSTECH PHARMA INC (US) | 2008-03-05 | — | — | CN | disclosed |
| EP-1888566-A1 | 2-[(ISOQUINOLIN-3-CARBONYL)AMINO]-PROPIONIC ACID DERIVATIVES AS INHIBITORS OF FACTORS XI AND IX FOR THE TREATMENT OF THROMBOSIS | Transtech Pharma, Inc. (US) | 2008-02-20 | — | — | EP | disclosed |
| US-20070254916-A1 | Aryl and heteroaryl compounds, compositions, and methods of use | MJALLI ADNAN M | 2007-11-01 | — | — | US | disclosed |
| US-7208601-B2 | Aryl and heteroaryl compounds, compositions, and methods of use | TRANSTECH PHARMA, LLC | 2007-04-24 | — | — | US | disclosed |
| WO-2006093823-A9 | 2- [ ISOQUINOLIN-S - CARBONYL ) AMINO] -PROPIONIC ACID DERIVATIVES AS INHIBITORS OF FACTORS XI AND IX FOR THE TREATMENT OF THROMBOSIS | TRANSTECH PHARMA INC (US) | 2006-11-02 | — | — | WO | disclosed |
| WO-2006093823-A1 | 2- [ ISOQUINOLIN-S - CARBONYL ) AMINO] -PROPIONIC ACID DERIVATIVES AS INHIBITORS OF FACTORS XI AND IX FOR THE TREATMENT OF THROMBOSIS | TRANSTECH PHARMA, INC. (US) | 2006-09-08 | — | — | WO | disclosed |
| US-20050171148-A1 | Aryl and heteroaryl compounds, compositions, methods of use | TRANSTECH PHARMA, LLC | 2005-08-04 | — | — | US | disclosed |
| US-4155905-A | 6-Substituted penicillanic acid and derivatives thereof | E. R. SQUIBB & SONS, INC. (US) | 1979-05-22 | — | — | US | disclosed |
| US-4077967-A | 6-Substituted penicillanic acid and derivatives thereof | E. R. SQUIBB & SONS, INC. (US) | 1978-03-07 | — | — | US | disclosed |
| US-4061629-A | 6-Amino-6-arylthio penicillanic acids and derivatives thereof | E. R. SQUIBB & SONS, INC. (US) | 1977-12-06 | — | — | US | disclosed |
| US-4061851-A | 7-Amino-7-arylthio cephalosporins | E. R. SQUIBB & SONS, INC. (US) | 1977-12-06 | — | — | US | disclosed |
| US-4029669-A | 6-Benzalimino-6-arylthio penicillanic acids and derivatives thereof | E. R. SQUIBB & SONS, INC. (US) | 1977-06-14 | — | — | US | disclosed |
| US-4026886-A | 7-Acyl-7-arylthiocephalosporins | E. R. SQUIBB & SONS, INC. (US) | 1977-05-31 | — | — | US | disclosed |
| US-3965093-A | 6-Arylthio penicillanic acid and derivatives thereof | E. R. SQUIBB & SONS, INC. (US) | 1976-06-22 | — | — | US | disclosed |
| US-3954744-A | ANTIBACTERIAL | E. R. SQUIBB & SONS, INC. (US) | 1976-05-04 | — | — | 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-20090124654-A1 | Aryl and Heteroaryl Compounds, Compositions, Methods of Use | F3, F12, CFH | DAO 83/4885CES2 1862/4885CES1 1042/4885 |
| US-20070254916-A1 | Aryl and heteroaryl compounds, compositions, and methods of use | TFPI, F9, F3 | DAO 188/4885CES2 1345/4885CES1 408/4885 |
| US-20050171148-A1 | Aryl and heteroaryl compounds, compositions, methods of use | TFPI, F3, F2 | DAO 214/4885CES2 1196/4885CES1 383/4885 |
“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.