Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | PSMD10 | O75832 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL8649697 | 0.93 | SMN1; SMN2 (0.46) | SMN1; SMN2TP53RXFP1CA1CA2 | |
| SCHEMBL8646966 | 0.84 | CA2 (0.46) | TP53CA1CA2CA12CA9 | |
| SCHEMBL8650329 | 0.84 | MTNR1A (0.46) | TP53CA1CA2CA12CA9 | |
| SCHEMBL5636510 | 0.82 | CA1 (0.47) | SMN1; SMN2TP53RXFP1CA1CA2 | |
| SCHEMBL18926552 | 0.81 | PSMD10 (0.45) | SMN1; SMN2TP53CA1CA12CA9 | |
| SCHEMBL8788554 | 0.80 | PSMD10 (0.41) | CA2MTNR1APSMD10 | |
| SCHEMBL7433981 | 0.78 | CA1 (0.46) | SMN1; SMN2TP53RXFP1CA1CA2 | |
| SCHEMBL18926562 | 0.77 | CNR2 (0.44) | SMN1; SMN2CA1CA2CA12CA9 | |
| SCHEMBL320187 | 0.76 | NR3C1 (0.52) | SMN1; SMN2 | |
| SCHEMBL8647162 | 0.76 | CA2 (0.44) | CA1CA2CA12CA9CYP24A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5763444-A | CENTRAL NERVOUS SYSTEM AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-06-09 | — | — | US | disclosed |
| EP-0761666-A2 | Antidepressant 1-arylalkyl-4-(alkoxypyridinyl)- or 4-(alkoxypyrimidinyl)piperazine derivatives | BRISTOL-MYERS SQUIBB COMPANY (US) | 1997-03-12 | — | — | EP | disclosed |