Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | SCN8A | Q9UQD0 | 2/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | SCN1A | P35498 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5829831 | 0.88 | CYP3A4 (0.37) | CYP3A4CYP2C9TSHRCYP1A2CYP2C19 | |
| SCHEMBL5833576 | 0.83 | OPRD1 (0.46) | CYP3A4CYP2C9TSHRCYP1A2CYP2C19 | |
| SCHEMBL5829605 | 0.74 | PARP1 (0.43) | SMN1; SMN2SCN8AKCNH2OPRD1OPRM1 | |
| SCHEMBL5829900 | 0.74 | PARP1 (0.46) | SMN1; SMN2OPRD1OPRM1 | |
| SCHEMBL5828656 | 0.74 | OPRM1 (0.41) | TLR9TLR8TLR7KCNH2OPRD1 | |
| SCHEMBL5829647 | 0.74 | PARP1 (0.42) | CYP2C19SMN1; SMN2TLR9TLR8TLR7 | |
| SCHEMBL5829874 | 0.73 | PARP1 (0.47) | CYP1A2CYP2C19SMN1; SMN2TLR9TLR8 | |
| SCHEMBL5829864 | 0.73 | PARP1 (0.44) | CYP3A4TSHRKCNH2OPRD1OPRM1 | |
| SCHEMBL5829616 | 0.73 | PARP1 (0.40) | OPRD1OPRM1 | |
| SCHEMBL5630843 | 0.72 | OPRD1 (0.52) | OPRD1OPRM1 |
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-7008952-B2 | 4-(phenyl-(piperidin-4yl)-amino)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders | ASTRAZENECA AB (SE) | 2006-03-07 | — | — | US | claimed |