Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 3/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.41 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.41 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.40 |
| ▸ | CD69 | Q07108 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 2/20 | 0.36 |
| ▸ | RXRB | P28702 | 2/20 | 0.36 |
| ▸ | RXRG | P48443 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30293112 | 0.81 | AKR1B1 (0.48) | AKR1B1TBXA2RTDP1DUSP3PTPN5 | |
| SCHEMBL4600073 | 0.80 | CYP2A6 (0.48) | CYP2A6TBXA2RCYP1A2MAPT | |
| SCHEMBL3408719 | 0.78 | RXRB (0.55) | AKR1B1TBXA2RTDP1RXRARXRB | |
| SCHEMBL28739318 | 0.78 | RXRB (0.55) | AKR1B1TBXA2RTDP1RXRARXRB | |
| SCHEMBL8638947 | 0.77 | RXRB (0.54) | AKR1B1TBXA2RTDP1RXRARXRB | |
| SCHEMBL9363413 | 0.76 | AKR1B1 (0.39) | AKR1B1CYP2A6RXRARXRBPTGS2 | |
| SCHEMBL27844075 | 0.74 | CYP2A6 (0.43) | CYP2A6CYP1A2KDM4E | |
| SCHEMBL8004072 | 0.73 | ALDH1A1 (0.54) | AKR1B1TDP1DUSP3PTPN5PTPN11 | |
| SCHEMBL28784159 | 0.73 | CYP2A6 (0.42) | CYP2A6CYP1A2KDM4EADRA1A | |
| SCHEMBL9452882 | 0.73 | AKR1B1 (0.36) | AKR1B1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0817767-B1 | BICYCLIC AMINE DERIVATIVES AND THEIR USE AS ANTI-PSYCHOTIC AGENTS | SMITHKLINE BEECHAM PLC (GB) | 2000-05-24 | — | — | EP | disclosed |
| US-6008219-A | Bicyclic amine derivatives and their use as anti-psychotic agents | SMITHKLINE BEECH P.L.C. (GB) | 1999-12-28 | — | — | US | disclosed |
| WO-1996030333-A1 | BICYCLIC AMINE DERIVATIVES AND THEIR USE AS ANTI-PSYCHOTIC AGENTS | SMITHKLINE BEECHAM PLC (GB) | 1996-10-03 | — | — | WO | disclosed |