Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27545997 | 0.76 | ALOX15 (0.39) | MAPK1TDP1TRPA1GABRA1GABRB2 | |
| SCHEMBL9661250 | 0.74 | MAPK1 (0.39) | MAPK1TDP1GABRA1GABRB2 | |
| SCHEMBL3050642 | 0.71 | — | — | |
| SCHEMBL11193798 | 0.69 | MAPK1 (0.31) | MAPK1TDP1 | |
| SCHEMBL11038525 | 0.69 | MAPK8 (0.36) | TAAR1GABRA1GABRB2 | |
| SCHEMBL713341 | 0.69 | CYP3A4 (0.30) | — | |
| SCHEMBL17059628 | 0.68 | MAPK1 (0.34) | MAPK1TDP1GABRA1GABRB2 | |
| SCHEMBL10806196 | 0.68 | MAPK1 (0.34) | MAPK1TDP1 | |
| SCHEMBL10547105 | 0.68 | MAPK1 (0.34) | MAPK1TDP1 | |
| SCHEMBL1191366 | 0.68 | TRPA1 (0.56) | MAPK1TDP1TRPA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106810512-B | IDH2 mutant inhibitor and application thereof | 江苏省中医药研究院 | 2019-09-10 | — | — | CN | disclosed |
| CN-106810512-A | IDH2 mutant inhibitor and application thereof | 江苏省中医药研究院 | 2017-06-09 | — | — | CN | disclosed |
| EP-0044209-A1 | Herbicidal sulfonamides | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1982-01-20 | — | — | EP | disclosed |