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 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SNCA | P37840 | 2/20 | 0.42 |
| ▸ | CNR2 | P34972 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19975643 | 0.87 | BCHE (0.41) | CYP3A4BCHEACHECA12CYP1A2 | |
| SCHEMBL10445352 | 0.86 | ALDH1A1 (0.46) | CYP3A4BCHEACHECA12CYP1A2 | |
| SCHEMBL9634534 | 0.85 | HIF1A (0.52) | CYP3A4BCHEACHECA12CYP1A2 | |
| SCHEMBL9634538 | 0.85 | ALDH1A1 (0.51) | CYP3A4BCHEACHECA12CYP1A2 | |
| SCHEMBL6230992 | 0.84 | CYP3A4 (0.46) | CYP3A4BCHEACHECA12CYP1A2 | |
| SCHEMBL14840376 | 0.84 | ALDH1A1 (0.49) | CYP3A4BCHEACHECA12CYP1A2 | |
| SCHEMBL2461053 | 0.84 | CNR2 (0.38) | CYP3A4BCHEACHECA12CYP1A2 | |
| SCHEMBL10484476 | 0.84 | KMT2A (0.47) | CYP3A4CA12CYP1A2CA9CA2 | |
| SCHEMBL4922529 | 0.83 | SNCA (0.50) | CYP1A2CA9CA2ALDH1A1SNCA | |
| SCHEMBL10484468 | 0.83 | ALDH1A1 (0.50) | ALDH1A1GAASNCACNR2LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080032080-A1 | Thermoplastic, moldable polymer composition and dynamic vulcanizates thereof | DAIKIN AMERICA, INC. (US) | 2008-02-07 | — | — | US | disclosed |
| US-6177541-B1 | REACTING (A) TRIS-(2,3-EPOXYPROPYL) ISOCYANURATE CONTAINING FROM 10 TO 3,000 PPM OF HYDROLYZABLE CHLORINE AND (B) A CARBOXY ACID IN THE PRESENCE OF (C) AN ARYLPHOSPHINE AND/OR A PHOSPHONIUM SALT COMPRISING A NON-HALOGEN ANION | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2001-01-23 | — | — | US | disclosed |
| US-4145473-A | Antistatic filament having a polymeric sheath and a conductive polymeric core | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1979-03-20 | — | — | US | disclosed |