Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL38659816 | 0.86 | CYP3A4 (0.61) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| SCHEMBL29466687 | 0.86 | CYP3A4 (0.44) | CYP3A4TRPA1ALDH1A1MAPTHPGD | |
| SCHEMBL484027 | 0.86 | CYP3A4 (0.44) | CYP3A4TRPA1ALDH1A1MAPTHPGD | |
| SCHEMBL739233 | 0.86 | CYP3A4 (0.61) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| SCHEMBL29664539 | 0.86 | CYP3A4 (0.61) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| SCHEMBL31597 | 0.78 | CYP3A4 (0.68) | CYP3A4TRPA1ALDH1A1MAPTHPGD | |
| SCHEMBL3009802 | 0.76 | CYP3A4 (0.44) | CYP3A4TRPA1ALDH1A1MAPTHPGD | |
| SCHEMBL21817053 | 0.76 | CYP3A4 (0.47) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| SCHEMBL28012586 | 0.73 | CYP3A4 (0.58) | CYP3A4TRPA1ALDH1A1HPGDTDP1 | |
| SCHEMBL27887506 | 0.73 | CYP3A4 (0.41) | CYP3A4TRPA1ALDH1A1MAPTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-6770734-B2 | POLYMERIZABLE TO MAKE POLYTHIOURETHANES; LENSES WITH A HIGH REFRACTIVE INDEX | MITSUI CHEMICALS, INC. (JP) | 2004-08-03 | — | — | US | disclosed |