Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.51 |
| ▸ | ADRB3 | P13945 | 10/20 | 0.50 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8604748 | 1.00 | CYP19A1 (0.51) | CYP19A1ADRB3TRPV1NPC1AR | |
| SCHEMBL4816663 | 0.92 | CYP19A1 (0.48) | CYP19A1ADRB3TRPV1NPC1AR | |
| SCHEMBL8607536 | 0.92 | CYP19A1 (0.52) | CYP19A1ADRB3TRPV1NPC1AR | |
| SCHEMBL7669045 | 0.88 | CYP19A1 (0.47) | CYP19A1ADRB3TRPV1NPC1AR | |
| SCHEMBL7119142 | 0.86 | ADRB3 (0.53) | CYP19A1ADRB3ADRB2 | |
| SCHEMBL5479847 | 0.86 | ADRB3 (0.53) | CYP19A1ADRB3ADRB2 | |
| SCHEMBL2456888 | 0.86 | ADRB3 (0.53) | CYP19A1ADRB3ADRB2 | |
| SCHEMBL6074483 | 0.86 | ADRB3 (0.59) | CYP19A1ADRB3ADRB2 | |
| SCHEMBL6074905 | 0.86 | ADRB3 (0.53) | CYP19A1ADRB3ADRB2 | |
| SCHEMBL7039437 | 0.85 | CYP19A1 (0.45) | CYP19A1ADRB3TRPV1ARHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0659737-B1 | Catecholamine surrogates useful as beta 3 agonists | BRISTOL MYERS SQUIBB CO (US) | 2003-03-26 | — | — | EP | disclosed |
| EP-0659737-A2 | Catecholamine surrogates useful as B3 agonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-06-28 | — | — | EP | disclosed |