Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 6/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SCN1A | P35498 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4609655 | 0.91 | KCNH2 (0.38) | KCNH2HRH3LMNAMAPTPKM | |
| SCHEMBL4723329 | 0.84 | NPC1 (0.49) | KCNH2HRH3LMNAMAPTCRBN | |
| SCHEMBL12964044 | 0.81 | ALDH1A1 (0.42) | HTR1AMAOBCYP3A4MAOAALDH1A1 | |
| SCHEMBL9778747 | 0.81 | MAOB (0.50) | PKMHTR1AMAOBMAOAALDH1A1 | |
| SCHEMBL4608650 | 0.81 | TAAR1 (0.47) | KCNH2HRH3LMNAHTR1ACYP3A4 | |
| SCHEMBL4723525 | 0.81 | ALDH1A1 (0.50) | KCNH2HRH3LMNAMAPTNPC1 | |
| SCHEMBL10757930 | 0.80 | NR5A1 (0.53) | KCNH2HRH3LMNANPC1MAOB | |
| SCHEMBL9778777 | 0.79 | DRD2 (0.43) | KCNH2HRH3CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL9778655 | 0.79 | KDM4E (0.44) | KCNH2MAPTPKMMAOBMAOA | |
| SCHEMBL9778597 | 0.79 | MAOB (0.51) | KCNH2HRH3HTR1AMAOBMAOA |
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-2008096129-A1 | NITROGEN CONTAINING HETROCYCLIC COMPOUNDS USEFUL AS BIFUNCTIONAL MODULATORS OF M3 RECEPTORS AND BETA- 2 RECEPTORS | ARGENTA DISCOVERY LTD (GB) | 2008-08-14 | — | — | WO | disclosed |