Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 5/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.39 |
| ▸ | PDE4A | P27815 | 2/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ESRRA | P11474 | 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 | |
|---|---|---|---|---|
| SCHEMBL2452164 | 0.90 | CYP19A1 (0.43) | CYP19A1TRPV1ADRB3ADRB2PDE4A | |
| SCHEMBL14090675 | 0.90 | CYP19A1 (0.43) | CYP19A1TRPV1ADRB3ADRB2PDE4A | |
| SCHEMBL2454673 | 0.90 | CYP19A1 (0.43) | CYP19A1TRPV1ADRB3ADRB2PDE4A | |
| SCHEMBL6479480 | 0.86 | CYP19A1 (0.44) | CYP19A1TRPV1ADRB3PDE4APDE4B | |
| SCHEMBL4817546 | 0.86 | CYP19A1 (0.44) | CYP19A1TRPV1ADRB3PDE4APDE4B | |
| SCHEMBL5483348 | 0.86 | CYP19A1 (0.44) | CYP19A1TRPV1ADRB3PDE4APDE4B | |
| SCHEMBL14643022 | 0.86 | CYP19A1 (0.39) | CYP19A1TRPV1ADRB3ADRB2PDE4A | |
| SCHEMBL7119149 | 0.83 | ADRB3 (0.44) | CYP19A1TRPV1ADRB3ADRB2SMN1; SMN2 | |
| SCHEMBL13842583 | 0.83 | ADRB2 (0.45) | CYP19A1TRPV1ADRB3ADRB2PDE4A | |
| SCHEMBL12305648 | 0.82 | ADRB2 (0.44) | CYP19A1TRPV1ADRB3ADRB2PDE4A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997037646-A1 | CATECHOLAMINE SURROGATES USEFUL AS β3 AGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1997-10-16 | — | — | WO | disclosed |