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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 5/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4921374 | 0.86 | CYP3A4 (0.46) | ALDH1A1CYP3A4BCHEACHECA12 | |
| SCHEMBL14840376 | 0.86 | ALDH1A1 (0.49) | ALDH1A1CYP3A4BCHEACHECA12 | |
| SCHEMBL128521 | 0.80 | CA12 (0.44) | ALDH1A1CYP3A4BCHEACHECA12 | |
| Tetraphenylphosphonium SCHEMBL28641132 | 0.79 | CA12 (0.46) | ALDH1A1CYP3A4BCHEACHECA12 | |
| SCHEMBL7064016 | 0.79 | ALDH1A1 (0.44) | ALDH1A1CYP1A2GAA | |
| SCHEMBL9634538 | 0.78 | ALDH1A1 (0.51) | ALDH1A1CYP3A4BCHEACHECA12 | |
| SCHEMBL9634534 | 0.78 | HIF1A (0.52) | ALDH1A1CYP3A4BCHEACHECA12 | |
| SCHEMBL6230992 | 0.76 | CYP3A4 (0.46) | ALDH1A1CYP3A4BCHEACHECA12 | |
| Hydrochloric Acid SCHEMBL4888815 | 0.76 | SIGMAR1 (0.48) | CYP1A2CYP2D6KMT2AMEN1 | |
| Phenylmethanesulfonic Acid SCHEMBL30204180 | 0.75 | BCHE (0.51) | ALDH1A1CYP3A4BCHEACHECA12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0374633-A2 | Method for the preparation of esters of carboxyalkyl polysaccharides | Wolff Walsrode Aktiengesellschaft (DE) | 1990-06-27 | — | — | EP | disclosed |