Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | OXTR | P30559 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Phenol SCHEMBL27702506 | 0.91 | CYP2D6 (0.38) | CYP1A2CYP2D6ALDH1A1CYP2C19CYP3A4 | |
| SCHEMBL24419882 | 0.86 | CYP1A2 (0.45) | CYP1A2CYP2D6ALDH1A1CYP2C19CYP3A4 | |
| SCHEMBL29356128 | 0.85 | CYP1A2 (0.40) | CYP1A2CYP2D6ALDH1A1CYP2C19CYP3A4 | |
| SCHEMBL13224414 | 0.85 | CYP1A2 (0.40) | CYP1A2CYP2D6ALDH1A1CYP2C19CYP3A4 | |
| SCHEMBL94736 | 0.85 | CYP1A2 (0.40) | CYP1A2CYP2D6ALDH1A1CYP2C19CYP3A4 | |
| SCHEMBL14463277 | 0.83 | ALDH1A1 (0.54) | CYP1A2CYP2D6ALDH1A1CYP2C19APP | |
| SCHEMBL7856805 | 0.82 | APP (0.46) | CYP1A2CYP2D6ALDH1A1CYP2C19CHRNA7 | |
| SCHEMBL2577142 | 0.82 | ALDH1A1 (0.61) | CYP1A2CYP2D6ALDH1A1CYP2C19APP | |
| SCHEMBL28344188 | 0.80 | ALDH1A1 (0.64) | CYP1A2CYP2D6ALDH1A1CYP2C19APP | |
| SCHEMBL21865868 | 0.80 | CYP1A2 (0.55) | CYP1A2CYP2D6CYP2C19CYP3A4HIF1A |
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-20120172569-A1 | THERMOSETTING RESIN HAVING BENZOXAZINE RING AND METHOD FOR PRODUCING THE SAME | SEKISUI CHEMICAL CO., LTD. (JP) | 2012-07-05 | — | — | US | disclosed |
| JP-2000103769-A | DIARYLQUINONEMETHIDE COMPOUND | FUJI PHOTO FILM CO LTD | 2000-04-11 | — | — | JP | disclosed |