Known targets — ChEMBL curated mechanism
CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9408663 | 0.82 | KDM4E (0.47) | CYP2D6MAPK1ALDH1A1KDM4ETDP1 | |
| Trifluoromethanesulfonic Acid SCHEMBL31031302 | 0.82 | GPR3 (0.35) | ACHEALDH1A1L3MBTL1KDM4ETDP1 | |
| SCHEMBL331272 | 0.80 | ALDH1A1 (0.57) | CYP3A4LMNACYP2D6MAPK1THPO | |
| Hydrochloric Acid SCHEMBL9637880 | 0.80 | KDM4E (0.50) | CYP2D6MAPK1ALDH1A1KDM4ETDP1 | |
| SCHEMBL9145298 | 0.79 | CYP3A4 (0.48) | CYP3A4LMNACYP2D6MAPK1THPO | |
| SCHEMBL11723030 | 0.77 | CYP3A4 (0.50) | CYP3A4LMNACYP2D6MAPK1THPO | |
| SCHEMBL31031299 | 0.76 | CA1 (0.39) | CA2 | |
| SCHEMBL1130503 | 0.75 | CYP3A4 (0.49) | CYP3A4LMNACYP2D6MAPK1THPO | |
| SCHEMBL11574807 | 0.75 | LMNA (0.67) | CYP3A4LMNACYP2D6MAPK1THPO | |
| SCHEMBL31031308 | 0.74 | KDM4E (0.33) | ALDH1A1KDM4ETDP1 |
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-5385802-A | Process for producing toner | FUJI XEROX CO., LTD. (JP) | 1995-01-31 | — | — | US | disclosed |