Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | FDPS | P14324 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29114282 | 0.84 | CYP1A2 (0.49) | CYP2C19CYP1A2CYP2C9TAAR1SLC6A2 | |
| SCHEMBL3271614 | 0.82 | HIF1A (0.52) | CYP2C19CYP1A2CYP2C9TAAR1SLC6A2 | |
| SCHEMBL5606168 | 0.82 | CYP2C19 (0.50) | CYP2C19CYP1A2CYP2C9TAAR1SLC6A2 | |
| Methane SCHEMBL27483233 | 0.80 | HIF1A (0.50) | CYP2C19CYP1A2CYP2C9TAAR1SLC6A2 | |
| SCHEMBL15380148 | 0.79 | CYP2C19 (0.57) | CYP2C19CYP1A2CYP2C9TAAR1SLC6A2 | |
| SCHEMBL2845811 | 0.79 | MAPT (0.55) | CYP2C19CYP1A2CYP2C9TAAR1SLC6A2 | |
| SCHEMBL28441545 | 0.77 | CES1 (0.47) | CYP2C19CYP1A2CYP2C9TAAR1SLC6A2 | |
| SCHEMBL28284234 | 0.77 | ALDH1A1 (0.43) | CYP2C19CYP1A2CYP2C9TAAR1SLC6A2 | |
| SCHEMBL15379149 | 0.76 | CYP1A2 (0.53) | CYP2C19CYP1A2CYP2C9TAAR1SLC6A2 | |
| SCHEMBL14678141 | 0.76 | CYP1A2 (0.49) | CYP2C19CYP1A2CYP2C9TAAR1SLC6A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4980508-A | Oxidation of 1,2-disulonyhydrazine compound with concentrated nitric acid | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1990-12-25 | — | — | US | disclosed |
| US-4980268-A | POLYAMIC ACID CONVERTIBLE TO POLYIMIDES | CIBA-GEIGY CORPORATION (US) | 1990-12-25 | — | — | US | disclosed |