Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | BCAT2 | O15382 | 2/20 | 0.42 |
| ▸ | CCNC | P24863 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 5/20 | 0.37 |
| ▸ | PLK1 | P53350 | 1/20 | 0.37 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | LDHA | P00338 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
| ▸ | CSNK1E | P49674 | 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 | |
|---|---|---|---|---|
| SCHEMBL6677946 | 0.81 | BCAT2 (0.49) | ALDH1A1HPGDKDM4ELMNATSHR | |
| SCHEMBL29978674 | 0.81 | BCAT2 (0.49) | ALDH1A1HPGDKDM4ELMNATSHR | |
| SCHEMBL27967445 | 0.78 | BCAT2 (0.42) | ALDH1A1HPGDKDM4ELMNATSHR | |
| SCHEMBL29702020 | 0.78 | ALDH1A1 (0.43) | ALDH1A1HPGDAKR1C3AKR1C2PLK1 | |
| SCHEMBL28636307 | 0.77 | ALDH1A1 (0.45) | ALDH1A1HPGDAKR1C3AKR1C2PLK1 | |
| SCHEMBL3763563 | 0.75 | FABP4 (0.43) | ALDH1A1HPGDKDM4ELMNATSHR | |
| SCHEMBL27920522 | 0.75 | GLA (0.38) | ALDH1A1HPGDKDM4ETSHR | |
| SCHEMBL27630251 | 0.74 | ALDH1A1 (0.40) | ALDH1A1HPGDKDM4ELMNATSHR | |
| SCHEMBL403135 | 0.73 | AKR1C3 (0.55) | BCAT2AKR1C3AKR1C2SCN9AERN1 | |
| SCHEMBL6677822 | 0.73 | TAS2R14 (0.44) | ALDH1A1HPGDTSHRAKR1C3AKR1C2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2375904-A1 | BIARYL CARBOXAMIDES | Merck Sharp & Dohme Corp. (US) | 2011-10-19 | — | — | EP | claimed |
| WO-2010077624-A1 | BIARYL CARBOXAMIDES | MERCK SHARP & DOHME CORP. (US) | 2010-07-08 | — | — | WO | claimed |
| CN-112707837-B | Preparation method of N-cyclopropylmethylaniline compound | 长沙嘉桥生物科技有限公司 | 2022-07-19 | — | — | CN | disclosed |
| CN-112707837-A | Preparation method of N-cyclopropylmethylaniline compound | 长沙嘉桥生物科技有限公司 | 2021-04-27 | — | — | CN | disclosed |