Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.40 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL839035 | 0.82 | CYP2A6 (0.56) | CYP2A6TDP1ESR1ESR2CYP1A2 | |
| SCHEMBL25898082 | 0.78 | CYP2A6 (0.38) | CYP2A6TDP1ESR1ESR2CYP1A2 | |
| SCHEMBL8988444 | 0.78 | ESR1 (0.55) | CYP2A6ESR1ESR2CYP1A2ALOX5 | |
| SCHEMBL14077417 | 0.78 | CYP1A2 (0.52) | CYP2A6ESR1ESR2CYP1A2ALOX5 | |
| SCHEMBL8992581 | 0.77 | PGK1 (0.56) | ESR1ESR2CYP1A2ALOX5ALDH1A1 | |
| SCHEMBL24664664 | 0.77 | ESR1 (0.53) | CYP2A6TDP1ESR1ESR2CYP1A2 | |
| SCHEMBL21201617 | 0.76 | CYP2A6 (0.58) | CYP2A6TDP1ESR1ESR2CYP1A2 | |
| SCHEMBL13559009 | 0.74 | CYP1A2 (0.42) | CYP2A6TDP1ESR1ESR2CYP1A2 | |
| SCHEMBL8923313 | 0.74 | FNTA (0.40) | CYP2A6TDP1CYP1A2ALDH1A1TACR1 | |
| SCHEMBL25726553 | 0.74 | CYP2A6 (0.47) | CYP2A6TDP1ESR1ESR2CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5489717-A | Glutamate (NMDA) receptor antagonists | WARNER-LAMBERT COMPANY | 1996-02-06 | — | — | US | claimed |
| US-5668121-A | Glutamate (NMDA) receptor antagonists | WARNER-LAMBERT COMPANY (US) | 1997-09-16 | — | — | US | disclosed |
| US-5489717-A | Glutamate (NMDA) receptor antagonists | WARNER-LAMBERT COMPANY | 1996-02-06 | — | — | US | disclosed |