Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.34 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CFTR | P13569 | 1/20 | 0.34 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 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 | |
|---|---|---|---|---|
| SCHEMBL1109904 | 0.88 | SMN1; SMN2 (0.36) | CYP2A6CYP19A1CFTRGOPCKMT2A | |
| SCHEMBL13093334 | 0.84 | CYP19A1 (0.34) | CYP3A4CYP2C9CYP2C19CYP19A1KCNA5 | |
| SCHEMBL1109849 | 0.84 | CYP19A1 (0.34) | CYP3A4CYP2C9CYP2C19CYP19A1KCNA5 | |
| SCHEMBL1109848 | 0.80 | KMT2A (0.33) | CYP3A4CYP19A1CFTRGOPCKMT2A | |
| SCHEMBL1109826 | 0.80 | CCNE2 (0.35) | CYP3A4CYP2C9CYP2C19CYP2D6CYP2A6 | |
| SCHEMBL1109821 | 0.80 | CYP2D6 (0.42) | CYP3A4CYP2C19CYP2D6CYP2A6CYP19A1 | |
| SCHEMBL4744143 | 0.80 | CARM1 (0.43) | CYP3A4CYP2D6SMN1; SMN2 | |
| SCHEMBL1109825 | 0.78 | SMN1; SMN2 (0.42) | CYP3A4CYP2C19CYP2D6ALDH1A1SMN1; SMN2 | |
| SCHEMBL4739310 | 0.78 | TAAR1 (0.38) | CYP19A1KMT2AALDH1A1SMN1; SMN2ATM | |
| SCHEMBL13845380 | 0.76 | CHRM2 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010015792-A1 | NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS BIFUNCTIONAL MODULATORS OF M3 RECEPTORS AND BETA-2 RECEPTORS | ARGENTA DISCOVERY LIMITED (GB) | 2010-02-11 | — | — | WO | disclosed |
| WO-2010015792-A1 | NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS BIFUNCTIONAL MODULATORS OF M3 RECEPTORS AND BETA-2 RECEPTORS | ARGENTA DISCOVERY LIMITED (GB) | 2010-02-11 | — | — | WO | disclosed |