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 | 9/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6549790 | 0.86 | ADORA3 (0.41) | ALDH1A1LMNAADORA3TSHRCYP3A4 | |
| SCHEMBL6728663 | 0.84 | ALDH1A1 (0.43) | ALDH1A1LMNAADORA3TSHRCYP3A4 | |
| SCHEMBL6735792 | 0.84 | ALDH1A1 (0.43) | ALDH1A1LMNAADORA3TSHRCYP3A4 | |
| SCHEMBL6550691 | 0.84 | ADORA3 (0.40) | ALDH1A1SMN1; SMN2ADORA3TSHRCYP3A4 | |
| SCHEMBL6550779 | 0.83 | TSHR (0.41) | ALDH1A1ADORA3TSHRCYP3A4CYP2C9 | |
| SCHEMBL6549432 | 0.82 | ADORA3 (0.38) | ALDH1A1LMNASMN1; SMN2ADORA3TSHR | |
| SCHEMBL6551283 | 0.80 | ALDH1A1 (0.42) | ALDH1A1LMNASMN1; SMN2CYP3A4CYP2C9 | |
| SCHEMBL6550369 | 0.80 | CCR1 (0.37) | ALDH1A1LMNAADORA3TSHRCYP3A4 | |
| SCHEMBL6726376 | 0.80 | SMN1; SMN2 (0.35) | ALDH1A1LMNASMN1; SMN2HSD17B10 | |
| Trifluoromethanesulfonic Acid SCHEMBL7160158 | 0.79 | ALDH1A1 (0.33) | ALDH1A1LMNASMN1; SMN2 |
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 |