Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | TRPM8 | Q7Z2W7 | 6/20 | 0.55 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.55 |
| ▸ | NAMPT | P43490 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | USP2 | O75604 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL14934437 | 0.88 | EPHX2 (0.67) | CYP2D6CYP1A2EPHX2NAMPTALDH1A1 | |
| SCHEMBL25153745 | 0.86 | HSD17B10 (0.73) | CYP2D6CYP1A2EPHX2NAMPTALDH1A1 | |
| SCHEMBL655599 | 0.82 | POLB (0.63) | NAMPTTRPV1MAPT | |
| SCHEMBL15171023 | 0.81 | CYP3A4 (0.72) | CYP2D6CYP1A2EPHX2NAMPTALDH1A1 | |
| Hydrochloric Acid SCHEMBL23246046 | 0.80 | POLB (0.66) | NAMPTTRPV1MAPT | |
| SCHEMBL14934481 | 0.77 | EPHX2 (0.69) | CYP1A2TRPM8EPHX2ALDH1A1USP2 | |
| SCHEMBL3072567 | 0.77 | MAPT (0.59) | EPHX2NAMPTTRPV1MAPT | |
| SCHEMBL14306236 | 0.77 | MAPT (0.69) | EPHX2NAMPTALDH1A1TRPV1MAPT | |
| SCHEMBL4559682 | 0.77 | MAPT (0.73) | EPHX2NAMPTALDH1A1TRPV1MAPT | |
| SCHEMBL25153734 | 0.76 | EPHX2 (0.59) | CYP2D6CYP1A2TRPM8EPHX2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013065712-A1 | DIAZASPIROUREA DERIVATIVE AND PHARMACEUTICAL USE THEREOF | 東レ株式会社 (JP) | 2013-05-10 | — | — | WO | disclosed |