Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 2/20 | 0.39 |
| ▸ | GPR3 | P46089 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13244382 | 0.81 | DRD2 (0.43) | CYP2A6CYP11B1CYP11B2CYP1A2CYP3A4 | |
| Ammonia Solution, Strong SCHEMBL2438706 | 0.78 | GPR3 (0.46) | TRPV1CES1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL227363 | 0.77 | CYP1A2 (0.60) | CYP2A6CYP11B1CYP11B2CYP1A2CYP3A4 | |
| SCHEMBL28141345 | 0.77 | TRPV1 (0.56) | TRPV1CES1KIF11GPR3PDK1 | |
| SCHEMBL15819760 | 0.77 | TRPV1 (0.52) | TRPV1CES1CHRM5KIF11GPR3 | |
| SCHEMBL1239457 | 0.75 | MAOB (0.60) | CES1GPR3 | |
| SCHEMBL31660773 | 0.75 | PBRM1 (0.49) | TRPV1CES1CHRM5BACE1KIF11 | |
| SCHEMBL8126748 | 0.75 | PBRM1 (0.49) | TRPV1CES1CHRM5BACE1KIF11 | |
| SCHEMBL354064 | 0.74 | DRD2 (0.46) | CYP2A6CYP11B1CYP11B2CYP1A2CYP3A4 | |
| SCHEMBL7962682 | 0.73 | CYP11B1 (0.49) | CYP2A6CYP11B1CYP11B2CYP1A2CYP3A4 |
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 |