Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ASPH | Q12797 | 1/20 | 0.38 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MLYCD | O95822 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL28421017 | 1.00 | GAA (0.40) | GAACYP2C9ASPHKDM8ALDH1A1 | |
| SCHEMBL11133994 | 0.99 | GAA (0.39) | GAACYP2C9ASPHKDM8ALDH1A1 | |
| SCHEMBL4109572 | 0.82 | ALDH1A1 (0.54) | CYP2C9ASPHKDM8ALDH1A1ALOX15 | |
| SCHEMBL10457353 | 0.82 | ALDH1A1 (0.54) | CYP2C9ASPHKDM8ALDH1A1ALOX15 | |
| SCHEMBL30175300 | 0.82 | ALDH1A1 (0.54) | CYP2C9ASPHKDM8ALDH1A1ALOX15 | |
| Hydrochloric Acid SCHEMBL29705669 | 0.81 | ALDH1A1 (0.52) | CYP2C9ASPHKDM8ALDH1A1ALOX15 | |
| SCHEMBL28421307 | 0.80 | ASPH (0.42) | CYP2C9ASPHKDM8ALDH1A1ALOX15 | |
| SCHEMBL11134576 | 0.79 | LTB4R2 (0.46) | — | |
| SCHEMBL9789736 | 0.78 | CA1 (0.37) | KMT2A | |
| SCHEMBL2770919 | 0.78 | CYP2C9 (0.48) | CYP2C9ASPHKDM8ALDH1A1ALOX15 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111362787-A | Synthesis method of trans-4-alkyl cyclohexyl benzoic acid | 惠泽化学科技(濮阳)有限公司 | 2020-07-03 | — | — | CN | claimed |
| JP-3011039-A | — | — | None | — | — | JP | disclosed |
| CN-111362787-A | Synthesis method of trans-4-alkyl cyclohexyl benzoic acid | 惠泽化学科技(濮阳)有限公司 | 2020-07-03 | — | — | CN | disclosed |
| CN-111362787-A | Synthesis method of trans-4-alkyl cyclohexyl benzoic acid | 惠泽化学科技(濮阳)有限公司 | 2020-07-03 | — | — | CN | disclosed |
| JP-H0311039-A | NOVEL AROMATIC ARBOXYLIC ACID ESTER COMPOUND | ADEKA ARGUS CHEM CO LTD | 1991-01-18 | — | — | JP | disclosed |