Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 2/20 | 0.57 |
| ▸ | CDK2 | P24941 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | NPY5R | Q15761 | 4/20 | 0.53 |
| ▸ | KDR | P35968 | 2/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | GSR | P00390 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.40 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.40 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8063320 | 0.92 | NPC1 (0.65) | CDK1CDK2NPC1NPY5RKDR | |
| Methane SCHEMBL8064257 | 0.90 | NPC1 (0.64) | CDK1CDK2NPC1NPY5RKDR | |
| SCHEMBL6963620 | 0.90 | KDR (0.54) | CDK1CDK2NPC1NPY5RKDR | |
| SCHEMBL4996872 | 0.84 | CDK1 (0.78) | CDK1CDK2NPC1NPY5RKDR | |
| SCHEMBL30583253 | 0.84 | CDK1 (0.78) | CDK1CDK2NPC1NPY5RKDR | |
| SCHEMBL79522 | 0.82 | NPC1 (0.83) | CDK1CDK2NPC1NPY5RKDR | |
| SCHEMBL11861088 | 0.81 | KDR (0.56) | CDK1CDK2NPC1NPY5RKDR | |
| SCHEMBL7089728 | 0.80 | NPC1 (0.81) | CDK1CDK2NPC1NPY5RKDR | |
| SCHEMBL11862464 | 0.79 | NPY5R (0.59) | NPC1NPY5RCYP19A1CYP11B1CYP11B2 | |
| SCHEMBL6970408 | 0.78 | KDR (0.74) | CDK1CDK2NPC1NPY5RKDR |
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 |
|---|---|---|---|---|---|---|---|
| US-3932430-A | Substituted indeno, naphtho and cyclohepta pyrazoles | SANDOZ, INC. (US) | 1976-01-13 | — | — | US | disclosed |