Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 12/20 | 0.48 |
| ▸ | RAB9A | P51151 | 11/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 9/20 | 0.48 |
| ▸ | HPGD | P15428 | 9/20 | 0.48 |
| ▸ | CASP3 | P42574 | 2/20 | 0.48 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.48 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.48 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.44 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 6/20 | 0.44 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5215874 | 0.88 | NPC1 (0.46) | NPC1RAB9AKDM4ESMN1; SMN2HPGD | |
| SCHEMBL14381085 | 0.83 | NPC1 (0.43) | NPC1RAB9AKDM4ESMN1; SMN2HPGD | |
| SCHEMBL5224725 | 0.81 | NPC1 (0.47) | NPC1RAB9AKDM4ESMN1; SMN2HPGD | |
| SCHEMBL5216455 | 0.81 | NPC1 (0.42) | NPC1RAB9AKDM4ESMN1; SMN2HPGD | |
| SCHEMBL5218678 | 0.80 | PTPN2 (0.46) | NPC1RAB9AKDM4ESMN1; SMN2HPGD | |
| SCHEMBL5217836 | 0.79 | ALDH1A1 (0.50) | NPC1RAB9AKDM4ESMN1; SMN2HPGD | |
| SCHEMBL5217497 | 0.79 | SMN1; SMN2 (0.48) | NPC1RAB9AKDM4ESMN1; SMN2HPGD | |
| SCHEMBL5217080 | 0.77 | NPC1 (0.45) | NPC1RAB9AKDM4ESMN1; SMN2HPGD | |
| SCHEMBL5219184 | 0.77 | RAB9A (0.44) | NPC1RAB9AKDM4ESMN1; SMN2HPGD | |
| SCHEMBL5217963 | 0.77 | NPC1 (0.46) | NPC1RAB9AKDM4ESMN1; SMN2HPGD |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1458383-B1 | HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO INC (US) | 2007-11-21 | — | — | EP | claimed |
| EP-1458383-A4 | HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO INC (US) | 2005-05-25 | — | — | EP | claimed |
| EP-1458383-A2 | HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | Merck & Co., Inc. (US) | 2004-09-22 | — | — | EP | claimed |
| WO-2004030637-A2 | TREATMENT OF OBESITY AND OTHER DISORDERS ASSOCIATED WITH EXCESSIVE FOOD INTAKE | MERCK & CO., INC. (US) | 2004-04-15 | — | — | WO | claimed |
| WO-2003051833-A2 | HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO., INC. (US) | 2003-06-26 | — | — | WO | claimed |
| US-7569592-B2 | Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 | MERCK & CO., INC. (US) | 2009-08-04 | — | — | US | disclosed |
| US-7569592-B2 | Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 | MERCK & CO., INC. (US) | 2009-08-04 | — | — | US | disclosed |