Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 4/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 4/20 | 0.35 |
| ▸ | HTR2A | P28223 | 3/20 | 0.35 |
| ▸ | ESR1 | P03372 | 3/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7296087 | 0.94 | CCR1 (0.42) | CCR1TRPA1TSHRHRH1HTR2A | |
| SCHEMBL7295721 | 0.86 | TRPA1 (0.43) | CCR1TRPA1TSHRHRH1HTR2A | |
| SCHEMBL11151613 | 0.81 | CCR1 (0.41) | CCR1TRPA1TSHRHRH1HTR2A | |
| SCHEMBL1310360 | 0.81 | CCR1 (0.41) | CCR1TRPA1TSHRHRH1HTR2A | |
| SCHEMBL10451727 | 0.81 | CCR1 (0.43) | CCR1TRPA1TSHRHRH1HTR2A | |
| SCHEMBL1846324 | 0.81 | CCR1 (0.46) | CCR1TRPA1TSHRHRH1HTR2A | |
| SCHEMBL10865835 | 0.81 | ESR1 (0.31) | CCR1ESR1ESR2ALDH1A1MEN1 | |
| SCHEMBL7309655 | 0.80 | HTR2A (0.41) | CCR1TRPA1TSHRHRH1HTR2A | |
| SCHEMBL7108521 | 0.80 | CCR1 (0.40) | CCR1TRPA1TSHRHRH1HTR2A | |
| SCHEMBL7754790 | 0.80 | HTR2A (0.41) | CCR1TRPA1TSHRHRH1HTR2A |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0067461-B1 | PREPARATION OF CYANOBENZYL CYCLOPROPANE CARBOXYLATES | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1985-07-17 | — | — | EP | claimed |
| US-4409150-A | ESTERIFICATION | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1983-10-11 | — | — | US | claimed |
| EP-0067461-A1 | Preparation of cyanobenzyl cyclopropane carboxylates | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1982-12-22 | — | — | EP | claimed |
| US-5306719-A | Cardiotonic agents | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-04-26 | — | — | US | disclosed |
| EP-0255134-B1 | CARBOSTYRIL DERIVATIVES AND SALTS THEREOF, PROCESS FOR PREPARING THEM, AND CARDIOTONIC COMPOSITION CONTAINING SAME | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1993-03-03 | — | — | EP | disclosed |
| US-5071856-A | CARBOSTYRIL DERIVATIVES AND SALTS THEREOF | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1991-12-10 | — | — | US | disclosed |
| US-4886809-A | CARDIOTONIC AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1989-12-12 | — | — | US | disclosed |
| EP-0255134-A2 | Carbostyril derivatives and salts thereof, process for preparing them, and cardiotonic composition containing same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1988-02-03 | — | — | EP | disclosed |
| EP-0067461-B1 | PREPARATION OF CYANOBENZYL CYCLOPROPANE CARBOXYLATES | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1985-07-17 | — | — | EP | disclosed |
| US-4409150-A | ESTERIFICATION | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1983-10-11 | — | — | US | disclosed |
| US-4409150-A | ESTERIFICATION | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1983-10-11 | — | — | US | disclosed |
| EP-0067461-A1 | Preparation of cyanobenzyl cyclopropane carboxylates | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1982-12-22 | — | — | EP | disclosed |
| EP-0067461-A1 | Preparation of cyanobenzyl cyclopropane carboxylates | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1982-12-22 | — | — | EP | disclosed |