Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 3/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28670436 | 0.91 | CYP2C19 (0.44) | CYP2C19HIF1AESR1ESR2TAAR1 | |
| SCHEMBL8612395 | 0.91 | CYP2C19 (0.47) | CYP2C19HIF1AESR1ESR2TAAR1 | |
| SCHEMBL597345 | 0.91 | CYP2C19 (0.47) | CYP2C19HIF1AESR1ESR2TAAR1 | |
| SCHEMBL7041512 | 0.87 | CYP2C19 (0.48) | CYP2C19HIF1AESR1ESR2TAAR1 | |
| SCHEMBL11801078 | 0.87 | TAAR1 (0.54) | CYP2C19HIF1AESR1ESR2TAAR1 | |
| SCHEMBL7041511 | 0.87 | CYP2C19 (0.48) | CYP2C19HIF1AESR1ESR2TAAR1 | |
| SCHEMBL22041472 | 0.86 | CYP2C19 (0.47) | CYP2C19HIF1AESR1ESR2TAAR1 | |
| SCHEMBL6285845 | 0.85 | ESR1 (0.62) | CYP2C19HIF1AESR1ESR2TAAR1 | |
| SCHEMBL3481611 | 0.84 | CYP2C19 (0.39) | CYP2C19HIF1AESR1ESR2TAAR1 | |
| SCHEMBL4610174 | 0.83 | CYP2C19 (0.41) | CYP2C19HIF1AESR1ESR2TAAR1 |
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-3356345-B1 | HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS | MAX PLANCK GESELLSCHAFT (DE) | 2023-11-08 | — | — | EP | disclosed |