Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | TDO2 | P48775 | 2/20 | 0.36 |
| ▸ | IDO2 | Q6ZQW0 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | BLM | P54132 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29483408 | 1.00 | ALDH1A1 (0.41) | ALDH1A1NISCHADRB2ADRB1AOC3 | |
| SCHEMBL10509388 | 0.89 | NISCH (0.46) | ALDH1A1NISCHADRB2ADRB1AOC3 | |
| SCHEMBL11082537 | 0.84 | PNMT (0.46) | ALDH1A1TSHRLMNAIDO1TDO2 | |
| SCHEMBL27168749 | 0.83 | ALDH1A1 (0.41) | ALDH1A1NISCHADRB2ADRB1AOC3 | |
| SCHEMBL28655921 | 0.82 | ALDH1A1 (0.40) | ALDH1A1NISCHADRB2ADRB1AOC3 | |
| SCHEMBL28996980 | 0.80 | NISCH (0.41) | ALDH1A1NISCHADRB2ADRB1AOC3 | |
| SCHEMBL17749161 | 0.80 | ADRB2 (0.42) | ALDH1A1NISCHADRB2ADRB1AOC3 | |
| SCHEMBL18704103 | 0.80 | ADRB2 (0.50) | ALDH1A1NISCHADRB2ADRB1AOC3 | |
| SCHEMBL11108160 | 0.78 | TP53 (0.39) | ALDH1A1TSHRLMNAIDO1CYP3A4 | |
| SCHEMBL11076889 | 0.77 | ESR1 (0.35) | ALDH1A1TSHRLMNAKDM4EMAPT |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112210549-B | Nitrilase mutant protein and application thereof in catalytic synthesis of (R) -3-substituted-4-cyanobutyric acid compounds | 中国科学院天津工业生物技术研究所 | 2022-06-10 | — | — | CN | disclosed |
| CN-112852789-B | Nitrilase mutant and application thereof | 中国科学院天津工业生物技术研究所 | 2022-04-05 | — | — | CN | disclosed |
| CN-111254134-B | Nitrile hydrolase mutant and application thereof in (S) -mononitrile monoacid synthesis | 中国科学院天津工业生物技术研究所 | 2021-09-07 | — | — | CN | disclosed |
| CN-112852789-A | Nitrilase mutant and application thereof | 中国科学院天津工业生物技术研究所 | 2021-05-28 | — | — | CN | disclosed |
| CN-112210549-A | Nitrilase mutant protein and application thereof in catalytic synthesis of (R) -3-substituted-4-cyanobutyric acid compounds | 中国科学院天津工业生物技术研究所 | 2021-01-12 | — | — | CN | disclosed |
| CN-111254134-A | Nitrile hydrolase mutant and application thereof in (S) -mononitrile monoacid synthesis | 中国科学院天津工业生物技术研究所 | 2020-06-09 | — | — | CN | disclosed |
| EP-0024776-B1 | 4-PHENYL AND 5-PHENYL-1,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES, AND PROCESS FOR PREPARING SAID DERIVATIVES | SYNTEX (U.S.A.) INC. (US) | 1984-12-27 | — | — | EP | disclosed |
| US-4322421-A | 4-Phenyl-and 5-phenyl-1,4,5,6-tetrahydro-pyrimidine derivatives | SYNTEX (U.S.A.) INC. (US) | 1982-03-30 | — | — | US | disclosed |
| US-4261995-A | DISORDERS OF CENTRAL NERVOUS SYSTEM AND CARDIOVASCULAR SYSTEM; HYPOTENSIVE | SYNTEX (U.S.A.) INC. (US) | 1981-04-14 | — | — | US | disclosed |
| EP-0024776-A1 | 4-Phenyl and 5-phenyl-1,4,5,6-tetrahydropyrimidine derivatives, pharmaceutical compositions containing said derivatives, and process for preparing said derivatives | SYNTEX (U.S.A.) INC. (US) | 1981-03-11 | — | — | EP | disclosed |