Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TMPRSS15 | P98073 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6653268 | 0.98 | NOTUM (0.41) | NOTUMALDH1A1CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL29438935 | 0.86 | NOTUM (0.46) | NOTUMALDH1A1CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL6651785 | 0.84 | ALDH1A1 (0.57) | ALDH1A1MEN1KMT2ATMPRSS15 | |
| SCHEMBL6632393 | 0.74 | TMPRSS15 (0.55) | ALDH1A1TMPRSS15 | |
| SCHEMBL3932995 | 0.73 | NOTUM (0.43) | NOTUMALDH1A1CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL441859 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL440017 | 0.72 | NOTUM (0.46) | NOTUMCYP2E1CYP2A6CYP2C9CYP2B6 | |
| Hydrochloric Acid SCHEMBL4010638 | 0.72 | NOTUM (0.42) | NOTUMALDH1A1CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL8964871 | 0.70 | EGFR (0.43) | ALDH1A1MEN1KMT2A | |
| SCHEMBL3823349 | 0.69 | NOTUM (0.47) | NOTUMALDH1A1CYP2E1CYP2A6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0956294-B1 | THROMBIN INHIBITORS | ABBOTT GMBH & CO KG (DE) | 2004-06-09 | — | — | EP | disclosed |
| EP-1165601-A2 | PRODRUGS OF THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2002-01-02 | — | — | EP | disclosed |
| EP-1051431-A1 | THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-15 | — | — | EP | disclosed |
| WO-2000061609-A2 | PRODRUGS OF THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2000-10-19 | — | — | WO | disclosed |
| EP-0956294-A1 | THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1999-11-17 | — | — | EP | disclosed |
| WO-1999037668-A1 | THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1999-07-29 | — | — | WO | disclosed |
| WO-1998006741-A1 | THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1998-02-19 | — | — | WO | disclosed |