Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.56 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.56 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.56 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.56 |
| ▸ | AGXT | P21549 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | NPY2R | P49146 | 1/20 | 0.44 |
| ▸ | GLS | O94925 | 1/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.43 |
| ▸ | IDH1 | O75874 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL346786 | 1.00 | CYP2A6 (0.56) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL368353 | 0.95 | CYP2A6 (0.55) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL9347774 | 0.93 | CYP2A6 (0.53) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL1687607 | 0.93 | CYP2A6 (0.53) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL9347724 | 0.93 | CYP2A6 (0.53) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL24614167 | 0.93 | CYP2A6 (0.53) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL6963172 | 0.89 | CYP2A6 (0.60) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL7340276 | 0.89 | CYP2A6 (0.60) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL18650053 | 0.84 | CYP2A6 (0.51) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| Carbamic Acid SCHEMBL9681965 | 0.83 | RAB9A (0.48) | CYP2A6ASIC3LOXL2ADRB2AGXT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0819125-A1 | THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN | TEXAS BIOTECHNOLOGY CORPORATION (US) | 1998-01-21 | — | — | EP | disclosed |
| WO-1996031492-A1 | THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN | TEXAS BIOTECHNOLOGY CORPORATION (US) | 1996-10-10 | — | — | WO | disclosed |