Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 SCHEMBL6922395 | 0.99 | AAK1 (0.32) | AAK1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6919094 | 0.86 | — | — | |
| SCHEMBL6919199 | 0.86 | F2 (0.39) | AAK1 | |
| SCHEMBL6919210 | 0.86 | F2 (0.39) | AAK1 | |
| SCHEMBL6915116 | 0.81 | CFD (0.41) | — | |
| Hydrochloric Acid SCHEMBL6922397 | 0.81 | CFD (0.40) | — | |
| Hydrochloric Acid SCHEMBL6916621 | 0.79 | MAOB (0.41) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6919761 | 0.78 | F2 (0.40) | AAK1 | |
| SCHEMBL6919684 | 0.75 | F2 (0.42) | AAK1 | |
| SCHEMBL6921204 | 0.74 | F2 (0.40) | AAK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004032834-A2 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2004-04-22 | — | — | WO | claimed |