Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 13/20 | 0.56 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 7/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | NAMPT | P43490 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL19158944 | 0.80 | KMT2A (0.60) | CYP1A2CYP3A4EPHX2TSHRCYP2C19 | |
| SCHEMBL22417721 | 0.78 | ALDH1A1 (0.62) | CYP1A2CYP3A4TSHRCYP2C19ALDH1A1 | |
| SCHEMBL15171043 | 0.72 | EPHX2 (1.00) | EPHX2 | |
| SCHEMBL19159617 | 0.71 | HSD17B10 (0.69) | CYP1A2CYP3A4TSHRCYP2C19ALDH1A1 | |
| SCHEMBL10415452 | 0.71 | GRM4 (0.65) | SMN1; SMN2 | |
| SCHEMBL30686047 | 0.71 | GRM4 (0.65) | SMN1; SMN2 | |
| SCHEMBL17444409 | 0.71 | OPRM1 (0.60) | CYP1A2CYP3A4TSHRCYP2C19ALDH1A1 | |
| SCHEMBL14934394 | 0.71 | CYP3A4 (0.65) | CYP1A2CYP3A4EPHX2TSHRCYP2C19 | |
| SCHEMBL14934392 | 0.71 | USP2 (0.68) | CYP1A2CYP3A4EPHX2TSHRCYP2C19 | |
| SCHEMBL14934475 | 0.71 | EPHX2 (0.72) | CYP1A2CYP3A4EPHX2TSHRCYP2C19 |
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 |