Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.77 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.51 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.51 |
| ▸ | AGXT | P21549 | 1/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.41 |
| ▸ | WNT3A | P56704 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | SLC5A2 | P31639 | 3/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL355949 | 0.88 | CYP2A6 (1.00) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| Benzothiophene SCHEMBL6151566 | 0.76 | CTNNB1 (0.41) | CYP2A6ADRB2CTNNB1WNT3A | |
| Benzothiophene SCHEMBL4378682 | 0.75 | CTNNB1 (0.46) | CYP2A6CTNNB1WNT3AMGLLBCL2L1 | |
| Benzothiophene SCHEMBL28758675 | 0.75 | CTNNB1 (0.46) | CYP2A6CTNNB1WNT3AMGLLBCL2L1 | |
| Benzothiophene SCHEMBL29415494 | 0.75 | — | — | |
| Benzothiophene SCHEMBL28545602 | 0.75 | CA12 (0.42) | CYP2A6ASIC3LOXL2CTNNB1WNT3A | |
| Benzothiophene SCHEMBL7023 | 0.75 | — | — | |
| Benzothiophene SCHEMBL29383883 | 0.75 | — | — | |
| Benzothiophene SCHEMBL451494 | 0.75 | — | — | |
| Benzothiophene SCHEMBL253491 | 0.75 | CA12 (0.42) | CYP2A6ASIC3LOXL2CTNNB1WNT3A |
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-2003101994-A1 | FUSED BICYCLIC AROMATIC COMPOUNDS THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION | ABBOTT LABORATORIES (US) | 2003-12-11 | — | — | WO | disclosed |