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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | ALB | P02768 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL6723253 | 0.99 | ALDH1A1 (0.37) | ALDH1A1KCNH2LMNACYP2C9TSHR | |
| SCHEMBL6731614 | 0.95 | MAPT (0.37) | ALDH1A1KCNH2LMNACYP2C9TSHR | |
| SCHEMBL6726398 | 0.91 | LMNA (0.35) | ALDH1A1KCNH2LMNACYP2C9TSHR | |
| SCHEMBL6550375 | 0.90 | ALDH1A1 (0.41) | ALDH1A1KCNH2LMNACYP2C9TSHR | |
| SCHEMBL6549225 | 0.88 | ALDH1A1 (0.40) | ALDH1A1KCNH2LMNACYP2C9TSHR | |
| SCHEMBL6549842 | 0.88 | ALDH1A1 (0.39) | ALDH1A1KCNH2LMNACYP2C9TSHR | |
| SCHEMBL6549683 | 0.87 | ALDH1A1 (0.39) | ALDH1A1KCNH2LMNACYP2C9TSHR | |
| SCHEMBL6728044 | 0.86 | ALDH1A1 (0.39) | ALDH1A1KCNH2LMNACYP2C9TSHR | |
| SCHEMBL6730944 | 0.86 | ALDH1A1 (0.39) | ALDH1A1KCNH2LMNACYP2C9TSHR | |
| SCHEMBL6726409 | 0.86 | LMNA (0.36) | ALDH1A1LMNACYP2C9TSHRCYP2D6 |
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 |