Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6982365 | 0.82 | ALDH1A1 (0.34) | ALDH1A1LMNASHMT2POLBCYP1A2 | |
| SCHEMBL6977286 | 0.79 | ITGB3 (0.53) | CYP2C19 | |
| SCHEMBL6983774 | 0.75 | ADORA2A (0.40) | HDAC3HDAC1SLC6A9 | |
| SCHEMBL6985761 | 0.74 | BRD4 (0.37) | ALDH1A1LMNAGAAPOLBCYP1A2 | |
| Hydrochloric Acid SCHEMBL7346044 | 0.73 | CYP2C19 (0.51) | ALDH1A1GAASHMT2POLBCYP1A2 | |
| SCHEMBL6980649 | 0.71 | ADORA2A (0.41) | GAAPOLBCYP2C19 | |
| SCHEMBL6982666 | 0.70 | ADORA2A (0.41) | HDAC3HDAC1GAA | |
| SCHEMBL9559011 | 0.68 | ITGB3 (0.63) | — | |
| SCHEMBL6972650 | 0.66 | ITGB3 (0.38) | POLBSLC6A9 | |
| SCHEMBL8042923 | 0.65 | ITGB3 (0.49) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0630366-B1 | SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS | SEARLE & CO (US) | 2003-01-02 | — | — | EP | disclosed |
| EP-0539343-B1 | Substituted heterocyclic derivatives useful as platelet aggregation inhibitors | MONSANTO CO (US) | 2000-07-26 | — | — | EP | disclosed |
| US-5378727-A | ADMINISTERING TO MAMMALS | G. D. SEARLE & CO. (US) | 1995-01-03 | — | — | US | disclosed |
| US-5254573-A | Substituted heterocyclic derivatives useful as platelet aggregation inhibitors | MONSANTO COMPANY (US) | 1993-10-19 | — | — | US | disclosed |
| EP-0539343-A1 | Substituted heterocyclic derivatives useful as platelet aggregation inhibitors | MONSANTO COMPANY (US) | 1993-04-28 | — | — | EP | disclosed |