Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 2/20 | 0.36 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | FERMT2 | Q96AC1 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9046578 | 0.82 | CYP1A2 (0.46) | CYP1A2CYP2D6CHEK1CHEK2PDE5A | |
| SCHEMBL8201557 | 0.74 | ESR1 (0.49) | ESR1CYP1A2CYP2D6LMNAHTT | |
| SCHEMBL3817132 | 0.71 | PDPK1 (0.45) | ESR1CYP1A2PDE5ALMNAALDH1A1 | |
| SCHEMBL6701252 | 0.69 | MAPK1 (0.66) | LMNAHTTENPP1ALDH1A1MAPK1 | |
| SCHEMBL6233405 | 0.66 | PDE5A (0.46) | ESR1PDE5ALMNAEGFRMAPT | |
| SCHEMBL12170630 | 0.66 | GALR3 (0.40) | PDE5ALDHALMNAHTTALDH1A1 | |
| SCHEMBL9049389 | 0.66 | PDE1B (0.34) | ESR1LMNAENPP1MAPK1SMN1; SMN2 | |
| SCHEMBL12170629 | 0.66 | PDE5A (0.47) | CYP1A2CHEK1PDE5ALMNAHTT | |
| SCHEMBL17087808 | 0.65 | ESR1 (0.56) | ESR1ALDH1A1MAPK1EGFRMEN1 | |
| Hydrochloric Acid SCHEMBL898173 | 0.64 | CYP1A2 (0.41) | CYP1A2CYP2D6CHEK1CHEK2LMNA |
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-0714896-A1 | INDOL DERIVATIVES USEFUL FOR THE TREATMENT OF MIGRAINE, COMPOSITION AND UTILIZATION | VITA-INVEST, S.A. (ES) | 1996-06-05 | — | — | EP | disclosed |