Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | WRN | Q14191 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.35 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | F9 | P00740 | 1/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20473166 | 0.81 | CES2 (0.38) | CES2CES1ALDH1A1L3MBTL1DAO | |
| SCHEMBL31176820 | 0.81 | CES2 (0.38) | CES2CES1ALDH1A1L3MBTL1DAO | |
| SCHEMBL17459302 | 0.81 | CES2 (0.38) | CES2CES1ALDH1A1L3MBTL1DAO | |
| SCHEMBL3615972 | 0.79 | GABBR2 (0.44) | ALDH1A1DAOWRNNPSR1MAPT | |
| SCHEMBL4240529 | 0.78 | DAO (0.45) | CES2CES1ALDH1A1DAOWRN | |
| Hydrochloric Acid SCHEMBL2819034 | 0.78 | GABBR2 (0.43) | ALDH1A1DAOWRNNPSR1MAPT | |
| SCHEMBL11694875 | 0.77 | CES2 (0.41) | CES2CES1ALDH1A1L3MBTL1DAO | |
| SCHEMBL5692352 | 0.76 | CES2 (0.34) | CES2CES1ALDH1A1L3MBTL1DAO | |
| SCHEMBL23695302 | 0.73 | WRN (0.35) | CES2CES1ALDH1A1DAOWRN | |
| SCHEMBL5211734 | 0.72 | ALDH1A1 (0.40) | CES2CES1ALDH1A1NPSR1MAPT |
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 7 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 |
| 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 |
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 | CES2 1862/4885CES1 1042/4885ALDH1A1 3043/4885 |
| US-20070254916-A1 | Aryl and heteroaryl compounds, compositions, and methods of use | TFPI, F9, F3 | CES2 1345/4885CES1 408/4885ALDH1A1 2892/4885 |
| US-20050171148-A1 | Aryl and heteroaryl compounds, compositions, methods of use | TFPI, F3, F2 | CES2 1196/4885CES1 383/4885ALDH1A1 2897/4885 |
“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.