Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | CYP11B1 | P15538 | 7/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 7/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.50 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.50 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.49 |
| ▸ | GSR | P00390 | 1/20 | 0.46 |
| ▸ | CDK1 | P06493 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 3/20 | 0.46 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11856153 | 0.88 | KDR (0.61) | CYP11B1CYP11B2CYP19A1CYP17A1NPY5R | |
| SCHEMBL11861088 | 0.86 | KDR (0.56) | NPC1NPY5RGSRCDK1CDK2 | |
| SCHEMBL8063320 | 0.85 | NPC1 (0.65) | NPC1CYP11B1CYP11B2CYP19A1NPY5R | |
| Methane SCHEMBL8064257 | 0.83 | NPC1 (0.64) | NPC1CYP11B1CYP11B2CYP19A1NPY5R | |
| SCHEMBL6969848 | 0.78 | NPC1 (0.48) | NPC1GSRCDK1CDK2KDR | |
| SCHEMBL11839656 | 0.78 | NPC1 (0.51) | NPC1GSRCDK1CDK2KDR | |
| SCHEMBL11863593 | 0.77 | NPC1 (0.48) | NPC1GSRCDK1CDK2KDR | |
| SCHEMBL6965340 | 0.77 | NPC1 (0.48) | NPC1GSRCDK1CDK2KDR | |
| SCHEMBL6963620 | 0.77 | KDR (0.54) | NPC1NPY5RGSRCDK1CDK2 | |
| SCHEMBL12567897 | 0.77 | KDR (0.74) | NPC1GSRCDK1CDK2KDR |
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 6 patents. 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 | claimed |
| EP-1023063-B1 | INDENO[1,2-c], NAPHTHO[1,2-c]- AND BENZO[6,7]CYCLOHEPTA[1,2-c]PYRAZOLE DERIVATIVES | ABBOTT GMBH & CO KG (DE) | 2003-09-10 | — | — | EP | disclosed |
| US-6451834-B1 | Indeno[1,2-c]-, naphtho[1,2-c]- and benzo[6,7]cyclohepta[1,2-c]pyrazole derivatives | BASF AKTIENGESELLSCHAFT (DE) | 2002-09-17 | — | — | US | disclosed |
| EP-1023063-A1 | INDENO 1,2-c]-, NAPHTHO 1,2-c]- AND BENZO 6,7]CYCLOHEPTA 1,2-c]PYRAZOLE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2000-08-02 | — | — | EP | disclosed |
| WO-1999017769-A1 | INDENO[1,2-c]-, NAPHTHO[1,2-c]- AND BENZO[6,7]CYCLOHEPTA[1,2-c]PYRAZOLE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1999-04-15 | — | — | WO | disclosed |
| US-3932430-A | Substituted indeno, naphtho and cyclohepta pyrazoles | SANDOZ, INC. (US) | 1976-01-13 | — | — | US | disclosed |