Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | METAP2 | P50579 | 8/20 | 0.48 |
| ▸ | METAP1 | P53582 | 6/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CTSS | P25774 | 3/20 | 0.43 |
| ▸ | CTSK | P43235 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | GLS | O94925 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15663571 | 1.00 | CYP1A2 (0.49) | CYP1A2CYP2C9CYP2C19HTTMETAP2 | |
| SCHEMBL21065379 | 1.00 | CYP1A2 (0.49) | CYP1A2CYP2C9CYP2C19HTTMETAP2 | |
| SCHEMBL21065378 | 1.00 | CYP1A2 (0.49) | CYP1A2CYP2C9CYP2C19HTTMETAP2 | |
| SCHEMBL15663302 | 0.93 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19HTTMETAP2 | |
| SCHEMBL7803484 | 0.93 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19HTTMETAP2 | |
| SCHEMBL14357345 | 0.93 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19HTTMETAP2 | |
| SCHEMBL29918031 | 0.86 | KMT2A (0.47) | KMT2ACA1CA2CA7CTSS | |
| SCHEMBL29918107 | 0.86 | KMT2A (0.47) | KMT2ACA1CA2CA7CTSS | |
| SCHEMBL12516686 | 0.86 | CYP1A2 (0.46) | CYP1A2CYP2C9CYP2C19HTTMETAP2 | |
| SCHEMBL15193959 | 0.86 | CYP1A2 (0.46) | CYP1A2CYP2C9CYP2C19HTTMETAP2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3292133-B1 | METHOD FOR THE PREPARATION OF 2-{4-[2-({[2-(4-CHLOROPHENYL) -1,3-THIAZOL-4-YL]METHYL}SULFANYL)-3,5-DICYAN-6- (PYRROLIDIN-1-YL)PYRIDIN-4-YL]PHENOXY}ETHYL-L-ALANYL-L-ALANINATE HYDROCHLORIDE | Bayer Pharma AG (DE) | 2019-06-26 | — | — | EP | disclosed |