Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | F10 | P00742 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6301307 | 0.83 | CYP19A1 (0.49) | ALDH1A1CYP19A1CYP2A6APPUSP2 | |
| SCHEMBL8950158 | 0.82 | APP (0.47) | ALDH1A1HPGDAPPF2F10 | |
| SCHEMBL2333763 | 0.80 | CYP19A1 (0.47) | CYP19A1CYP2A6USP2PIM1MAOA | |
| SCHEMBL2788486 | 0.79 | CYP19A1 (0.49) | ALDH1A1CYP19A1CYP2A6USP2PIM1 | |
| SCHEMBL30886917 | 0.79 | SMN1; SMN2 (0.57) | ALDH1A1HPGDCYP19A1TAAR1ADRA2A | |
| SCHEMBL8950183 | 0.79 | CYP19A1 (0.49) | ALDH1A1CYP19A1TAAR1CYP2A6PIM1 | |
| SCHEMBL6300586 | 0.79 | CYP19A1 (0.51) | ALDH1A1CYP19A1CYP2A6APPUSP2 | |
| SCHEMBL30317998 | 0.79 | CYP19A1 (0.51) | ALDH1A1CYP19A1CYP2A6APPUSP2 | |
| SCHEMBL14756120 | 0.79 | CYP19A1 (0.46) | ALDH1A1HPGDALOX12CYP19A1TAAR1 | |
| SCHEMBL7469284 | 0.79 | ALOX15 (0.47) | CYP19A1CYP2A6USP2PIM1MAOA |
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 |
|---|---|---|---|---|---|---|---|
| US-5494910-A | TREATING MIGRAINE AND OTHER TYPES OF HEADACHE | GLAXO GROUP LIMITED (GB) | 1996-02-27 | — | — | US | disclosed |