Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.59 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9781100 | 1.00 | TRPA1 (0.59) | TRPA1ALOX5MAPTTP53MEN1 | |
| SCHEMBL9781079 | 0.89 | ALOX15 (0.65) | TRPA1ALOX5MAPTTP53MEN1 | |
| SCHEMBL9781083 | 0.89 | ALOX15 (0.65) | TRPA1ALOX5MAPTTP53MEN1 | |
| SCHEMBL9781077 | 0.89 | ALOX15 (0.65) | TRPA1ALOX5MAPTTP53MEN1 | |
| SCHEMBL9514622 | 0.86 | ALOX15 (0.50) | TRPA1ALOX5MAPTTP53ALOX15 | |
| SCHEMBL9514620 | 0.86 | ALOX15 (0.50) | TRPA1ALOX5MAPTTP53ALOX15 | |
| SCHEMBL9514631 | 0.86 | ALOX15 (0.50) | TRPA1ALOX5MAPTTP53ALOX15 | |
| SCHEMBL9517950 | 0.83 | ALOX5 (0.58) | ALOX5MAPTTP53MEN1KMT2A | |
| SCHEMBL9517952 | 0.83 | ALOX5 (0.58) | ALOX5MAPTTP53MEN1KMT2A | |
| SCHEMBL28893713 | 0.79 | ALDH1A1 (0.57) | ALOX5MAPTTP53MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0299761-B1 | ANTI-INFLAMMATORY ARYL DERIVATIVES | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-12-18 | — | — | EP | disclosed |
| US-4988733-A | Also used in treatment of cardiovascular disorders and inflammation | BURROUGHS WELLCOME CO. (US) | 1991-01-29 | — | — | US | disclosed |
| EP-0299761-A1 | Anti-inflammatory aryl derivatives | THE WELLCOME FOUNDATION LIMITED (GB) | 1989-01-18 | — | — | EP | disclosed |