Known targets — ChEMBL curated mechanism
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The experimentally established mechanism targets of Alcohol. 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 | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | CTSD | P07339 | 1/20 | 0.52 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | PLAU | P00749 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL27548373 | 0.96 | HSD17B10 (0.58) | HSD17B10ALDH1A1TDP1TSHRNPC1 | |
| Hydrazine SCHEMBL27401572 | 0.86 | HSD17B10 (0.61) | HSD17B10ALDH1A1TDP1TSHRNPC1 | |
| 2-Nitroaniline SCHEMBL10492637 | 0.86 | PDE7A (0.51) | HSD17B10ALDH1A1TDP1TSHRNPC1 | |
| 2-Nitroaniline SCHEMBL27474156 | 0.84 | PDE7A (0.50) | HSD17B10ALDH1A1TDP1TSHRNPC1 | |
| Butane SCHEMBL27519037 | 0.84 | HSD17B10 (0.60) | HSD17B10ALDH1A1TDP1TSHRNPC1 | |
| Methyl Alcohol SCHEMBL27808930 | 0.84 | HSD17B10 (0.65) | HSD17B10ALDH1A1TDP1TSHRNPC1 | |
| Hydrazine SCHEMBL28169631 | 0.84 | HSD17B10 (0.58) | HSD17B10ALDH1A1TDP1TSHRNPC1 | |
| Nitrophenolate SCHEMBL10626454 | 0.83 | GPR35 (0.55) | HSD17B10ALDH1A1TDP1TSHRNPC1 | |
| SCHEMBL27878426 | 0.82 | HSD17B10 (0.58) | HSD17B10ALDH1A1TDP1TSHRNPC1 | |
| Alcohol SCHEMBL28728870 | 0.82 | TDP1 (0.50) | HSD17B10ALDH1A1TDP1TSHRNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105477166-B | A kind of preparation method and its method of quality control of duhuo jisheng decoction granule | 广东一方制药有限公司 | 2019-11-05 | — | — | CN | disclosed |