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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL6735114 | 0.93 | ALDH1A1 (0.37) | ALDH1A1L3MBTL1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6726210 | 0.92 | ALDH1A1 (0.37) | ALDH1A1L3MBTL1CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL6730944 | 0.91 | ALDH1A1 (0.39) | ALDH1A1CYP2C9CYP2C19LMNACYP2D6 | |
| SCHEMBL6734431 | 0.90 | L3MBTL1 (0.39) | ALDH1A1L3MBTL1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6549461 | 0.88 | LMNA (0.37) | ALDH1A1CYP3A4CYP2C9CYP2C19MAPK1 | |
| SCHEMBL6551056 | 0.87 | ALDH1A1 (0.37) | ALDH1A1CYP3A4CYP2C9CYP2C19MAPK1 | |
| SCHEMBL6733943 | 0.85 | L3MBTL1 (0.41) | ALDH1A1L3MBTL1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6727897 | 0.85 | ALDH1A1 (0.35) | ALDH1A1CYP3A4CYP2C9CYP2C19MAPK1 | |
| SCHEMBL6726398 | 0.85 | LMNA (0.35) | ALDH1A1CYP3A4CYP2C9CYP2C19NPC1 | |
| SCHEMBL6731000 | 0.85 | ALDH1A1 (0.40) | ALDH1A1L3MBTL1CYP3A4CYP2C9CYP2C19 |
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 |