Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 5/20 | 0.36 |
| ▸ | RAB9A | P51151 | 5/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TYMP | P19971 | 2/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5944019 | 0.81 | CYP2D6 (0.41) | CYP2D6CYP3A4CYP2C19NPC1RAB9A | |
| SCHEMBL31314878 | 0.81 | CYP2D6 (0.41) | CYP2D6CYP3A4CYP2C19NPC1RAB9A | |
| SCHEMBL31314866 | 0.81 | CYP2D6 (0.41) | CYP2D6CYP3A4CYP2C19NPC1RAB9A | |
| SCHEMBL6264044 | 0.76 | CYP2D6 (0.36) | CYP2D6CYP3A4CYP2C19NPC1RAB9A | |
| SCHEMBL8182747 | 0.76 | CYP2D6 (0.40) | CYP2D6CYP3A4CYP2C19NPC1RAB9A | |
| SCHEMBL20240671 | 0.72 | CHRNA7 (0.31) | — | |
| SCHEMBL18957514 | 0.72 | CHRNA7 (0.31) | — | |
| SCHEMBL1305685 | 0.71 | — | — | |
| SCHEMBL1712103 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL28842337 | 0.69 | CYP3A4 (0.33) | CYP2D6CYP3A4CYP2C19TYMP |
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-2008096127-A2 | BICYCLO[2.2.1]HEPT-7-YLAMINE DERIVATIVES AND THEIR USE AS M3 MUSCARINIC RECEPTOR MODULATORS | ARGENTA DISCOVERY LTD (GB) | 2008-08-14 | — | — | WO | disclosed |