Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | HTR7 | P34969 | 3/20 | 0.46 |
| ▸ | GSR | P00390 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 2/20 | 0.40 |
| ▸ | IDO1 | P14902 | 3/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL6969848 | 0.85 | NPC1 (0.48) | NPC1HTR7GSRKDRRAB9A | |
| SCHEMBL11861088 | 0.84 | KDR (0.56) | NPC1HTR7GSRKDRRAB9A | |
| SCHEMBL11863593 | 0.84 | NPC1 (0.48) | NPC1HTR7GSRKDRRAB9A | |
| SCHEMBL11830520 | 0.81 | S1PR1 (0.44) | NPC1HTR7GSRKDRRAB9A | |
| SCHEMBL6961876 | 0.79 | NPC1 (0.50) | NPC1HTR7GSRKDRRAB9A | |
| SCHEMBL8063320 | 0.78 | NPC1 (0.65) | NPC1GSRKDRRAB9ACDK1 | |
| SCHEMBL6958616 | 0.77 | NPC1 (0.52) | NPC1GSRKDRRAB9AIDO1 | |
| SCHEMBL11839656 | 0.77 | NPC1 (0.51) | NPC1HTR7GSRKDRRAB9A | |
| Methane SCHEMBL8064257 | 0.77 | NPC1 (0.64) | NPC1GSRKDRRAB9ACDK1 | |
| SCHEMBL6963849 | 0.76 | NPC1 (0.50) | NPC1GSRKDRRAB9AKDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |