Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 6/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | GGPS1 | O95749 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | DBH | P09172 | 1/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.39 |
| ▸ | PTGFR | P43088 | 1/20 | 0.39 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.39 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30274481 | 0.78 | TBXA2R (0.44) | IDO1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL4995355 | 0.76 | IDO1 (0.50) | IDO1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL6033569 | 0.75 | IDO1 (0.54) | IDO1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL4110103 | 0.75 | IDO1 (0.54) | IDO1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL249746 | 0.75 | IDO1 (0.54) | IDO1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL30956678 | 0.75 | IDO1 (0.54) | IDO1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL895205 | 0.75 | IDO1 (0.54) | IDO1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL29439097 | 0.75 | IDO1 (0.54) | IDO1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL5718432 | 0.74 | IDO1 (0.48) | IDO1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL2199361 | 0.73 | IDO1 (0.53) | IDO1CYP1A2CYP3A4CYP2C9MAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4460793-A | REACTING 1,1-DICHLOROALKENE AND PHENOLATE TO OBTAIN PHENYLETHER INTERMEDIATE, ACID HYDROLYSIS | BAYER AKTIENGESELLSCHAFT (DE) | 1984-07-17 | — | — | US | disclosed |
| EP-0055427-B1 | PROCESS FOR THE PRODUCTION OF MONOCHLOROMETHYL KETONES | BAYER AG (DE) | 1984-05-02 | — | — | EP | disclosed |
| EP-0055427-A1 | Process for the production of monochloromethyl ketones | BAYER AG (DE) | 1982-07-07 | — | — | EP | disclosed |