Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.45 |
| ▸ | PPARG | P37231 | 7/20 | 0.45 |
| ▸ | PPARD | Q03181 | 7/20 | 0.45 |
| ▸ | PPARA | Q07869 | 7/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 6/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | TLR2 | O60603 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | FABP4 | P15090 | 2/20 | 0.45 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.45 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Trifluoromethylbenzene SCHEMBL29009779 | 0.82 | TSHR (0.50) | CES2CES1AKR1B1KMT2AGPR84 | |
| Biphenyl SCHEMBL27377379 | 0.79 | AKR1B1 (0.56) | CES2CES1AKR1B1KMT2AGPR84 | |
| Valeric Acid SCHEMBL1674731 | 0.78 | AKR1B1 (0.74) | AKR1B1KMT2AMAPTGPR84PPARG | |
| Triphenylmethanamine SCHEMBL3607595 | 0.77 | AKR1B1 (0.55) | CES2CES1AKR1B1KMT2AMAPT | |
| SCHEMBL28969846 | 0.77 | ESR1 (0.53) | AKR1B1KMT2AGPR84PPARGPPARD | |
| Octanoic Acid SCHEMBL28930532 | 0.77 | GPR84 (0.59) | CES2CES1AKR1B1KMT2AMAPT | |
| Valeric Acid SCHEMBL6158046 | 0.77 | AKR1B1 (0.54) | CES2CES1AKR1B1KMT2AMAPT | |
| Triphenylmethanethiol SCHEMBL5674467 | 0.77 | CYP2C19 (0.44) | CES2CES1KMT2AMAPTHDAC11 | |
| O-Xylene SCHEMBL28841744 | 0.77 | AKR1B1 (0.54) | CES2CES1AKR1B1KMT2AMAPT | |
| Valeric Acid SCHEMBL5691417 | 0.77 | HSD17B3 (0.55) | CES2CES1AKR1B1KMT2AGPR84 |
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-1336367-A | Mercaptoone and mercaptol, and prepn. process therefor | AMERICAN CYANAMID CO (US) | 2002-02-20 | — | — | CN | claimed |