Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 4/20 | 0.36 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 2/20 | 0.33 |
| ▸ | CTSB | P07858 | 2/20 | 0.33 |
| ▸ | CTSS | P25774 | 2/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17935735 | 0.88 | ESR1 (0.57) | ESR1ESR2ALDH1A1PBRM1CYP1A2 | |
| SCHEMBL23288543 | 0.85 | ESR1 (0.45) | ESR1ESR2HTR2ACTSKPYCR1 | |
| SCHEMBL8764025 | 0.79 | ESR1 (0.50) | ESR1ESR2CYP2A6ALDH1A1PBRM1 | |
| SCHEMBL2547851 | 0.78 | IGF1R (0.38) | ESR1ESR2HTR2ACTSKALOX5 | |
| SCHEMBL29134814 | 0.78 | DPP4 (0.41) | ESR1ESR2HTR2ACYP2A6CTSK | |
| SCHEMBL9451732 | 0.78 | PYCR1 (0.41) | ESR1ESR2HTR2ACTSKPYCR1 | |
| SCHEMBL11081715 | 0.77 | ESR1 (0.36) | ESR1ESR2 | |
| SCHEMBL11079957 | 0.77 | ESR1 (0.48) | ESR1ESR2PYCR1ALDH1A1KDM4E | |
| SCHEMBL11078905 | 0.77 | ESR1 (0.48) | ESR1ESR2CYP2A6ALDH1A1CYP1A2 | |
| SCHEMBL11089612 | 0.77 | ESR1 (0.48) | ESR1ESR2PBRM1 |
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 |