Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL74883 | 0.79 | TSHR (0.39) | — | |
| SCHEMBL7117260 | 0.70 | ALDH1A1 (0.35) | HSD17B10CYP2C19 | |
| SCHEMBL1100011 | 0.63 | — | — | |
| SCHEMBL17787862 | 0.61 | CYP2C19 (0.32) | CYP2C19 | |
| SCHEMBL6724647 | 0.60 | — | — | |
| SCHEMBL9421438 | 0.60 | ALDH1A1 (0.31) | HSD17B10 | |
| Benzoquinone SCHEMBL4866260 | 0.59 | ALDH1A1 (0.53) | TP53MAPTALOX15HSD17B10 | |
| SCHEMBL10454809 | 0.59 | — | — | |
| SCHEMBL20079635 | 0.59 | — | — | |
| SCHEMBL10189216 | 0.59 | HSD17B10 (0.33) | TP53MAPTALOX15HSD17B10CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| JP-6263687-A | — | — | None | — | — | JP | disclosed |
| US-8163944-B2 | Allylic oxidations catalyzed by dirhodium catalysts under aqueous conditions | UNIVERSITY OF MARYLAND COLLEGE PARK (US) | 2012-04-24 | — | — | US | disclosed |
| JP-H06263687-A | PRODUCTION OF P-QUINONE | SUMITOMO CHEM CO LTD | 1994-09-20 | — | — | JP | disclosed |