Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 3/20 | 0.32 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | DRD3 | P35462 | 2/20 | 0.32 |
| ▸ | PNMT | P11086 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.31 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.31 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.31 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15415315 | 0.79 | — | — | |
| SCHEMBL11678412 | 0.78 | MEN1 (0.31) | — | |
| SCHEMBL11880913 | 0.72 | ALDH1A1 (0.42) | CA2CA12CA9ALDH1A1CA3 | |
| SCHEMBL8672077 | 0.67 | TRPV1 (0.32) | ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL8646091 | 0.67 | HRH2 (0.35) | CA2CA12CA9CA1LOXL2 | |
| SCHEMBL8580198 | 0.67 | HTT (0.36) | ALDH1A1TSHR | |
| SCHEMBL3781336 | 0.66 | CHRNB2 (0.36) | CYP2A6ALDH1A1CHRNB2CHRNA4 | |
| SCHEMBL10741029 | 0.66 | HTR2C (0.37) | ALDH1A1TSHR | |
| SCHEMBL5392162 | 0.65 | ORAI1 (0.38) | TSHR | |
| SCHEMBL45942 | 0.63 | CA2 (0.69) | CA2CYP2A6CA12CA9ALDH1A1 |
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-0715623-B1 | PLATELET AGGREGATION INHIBITORS | SEARLE & CO (US) | 1998-09-09 | — | — | EP | disclosed |
| EP-0715623-A1 | PLATELET AGGREGATION INHIBITORS | G.D. SEARLE & CO. (US) | 1996-06-12 | — | — | EP | disclosed |
| US-5489594-A | ANTICOAGULANTS | G. D. SEARLE & CO. (US) | 1996-02-06 | — | — | US | disclosed |
| US-5430043-A | Platelet aggregation inhibitors | G. D. SEARLE & CO. (US) | 1995-07-04 | — | — | US | disclosed |
| WO-1995006038-A1 | PLATELET AGGREGATION INHIBITORS | G.D. SEARLE & CO. (US) | 1995-03-02 | — | — | WO | disclosed |