Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CBFB | Q13951 | 4/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | AURKA | O14965 | 2/20 | 0.31 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5821904 | 0.75 | CDK1 (0.42) | CDK1CBFBALDH1A1TP53CYP3A4 | |
| SCHEMBL4040032 | 0.71 | RET (0.43) | CDK1AURKA | |
| SCHEMBL5465608 | 0.60 | NOS3 (0.40) | SMN1; SMN2 | |
| SCHEMBL124272 | 0.56 | CBFB (0.68) | CBFBALDH1A1TP53CYP3A4CYP2D6 | |
| SCHEMBL21237321 | 0.55 | PKN1 (0.57) | ALDH1A1HPGDSMN1; SMN2HSD17B10 | |
| SCHEMBL14738396 | 0.55 | CHEK1 (0.30) | — | |
| SCHEMBL1585571 | 0.54 | ELANE (0.49) | ALDH1A1HPGDHSD17B10 | |
| SCHEMBL22599976 | 0.53 | MGAM (0.48) | CBFB | |
| SCHEMBL3443410 | 0.53 | ELANE (0.36) | ALDH1A1TP53HPGDSMN1; SMN2 | |
| SCHEMBL5455968 | 0.52 | METAP1 (0.41) | — |
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-2006130673-A1 | 3-BENZOIMIDAZOLYL-PYRAZOLOPYRIDINES USEFUL IN TREATING KINASE DISORDERS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2006-12-07 | — | — | WO | disclosed |