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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.40 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6727729 | 0.99 | CYP2C9 (0.41) | CYP2C9ALDH1A1ENPP3ENPP1ENPP2 | |
| SCHEMBL6549852 | 0.90 | ALDH1A1 (0.43) | CYP2C9ALDH1A1ENPP3ENPP1ENPP2 | |
| SCHEMBL6551381 | 0.90 | ALDH1A1 (0.43) | CYP2C9ALDH1A1ENPP3ENPP1ENPP2 | |
| SCHEMBL6550488 | 0.90 | ALDH1A1 (0.43) | CYP2C9ALDH1A1ENPP3ENPP1ENPP2 | |
| SCHEMBL6550721 | 0.89 | ALDH1A1 (0.41) | CYP2C9ALDH1A1ENPP3ENPP1ENPP2 | |
| SCHEMBL6728428 | 0.86 | ALDH1A1 (0.40) | CYP2C9ALDH1A1ENPP3ENPP1ENPP2 | |
| SCHEMBL6727473 | 0.86 | ALDH1A1 (0.40) | CYP2C9ALDH1A1ENPP3ENPP1ENPP2 | |
| SCHEMBL6723151 | 0.85 | ALDH1A1 (0.39) | CYP2C9ALDH1A1ENPP3ENPP1ENPP2 | |
| SCHEMBL6726120 | 0.85 | ALDH1A1 (0.39) | CYP2C9ALDH1A1ENPP3ENPP1ENPP2 | |
| SCHEMBL6733943 | 0.82 | L3MBTL1 (0.41) | CYP2C9ALDH1A1KMT2ATSHRCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-20040224251-A1 | Positive resist composition | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2004-11-11 | — | — | US | disclosed |
| US-6548220-B2 | Containing acid generator | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2003-04-15 | — | — | US | disclosed |