Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN2 | P17706 | 3/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.46 |
| ▸ | PTPN5 | P54829 | 3/20 | 0.46 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.46 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 8/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | HPGD | P15428 | 5/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 6/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6174671 | 0.81 | ALDH1A1 (0.50) | ALDH1A1HSD17B10MEN1KMT2ANPC1 | |
| SCHEMBL5217836 | 0.81 | ALDH1A1 (0.50) | ALDH1A1HSD17B10MEN1KMT2ANPC1 | |
| SCHEMBL5224725 | 0.81 | NPC1 (0.47) | PTPN2PTPN1PTPN5ALDH1A1HSD17B10 | |
| SCHEMBL5218794 | 0.80 | NPC1 (0.48) | PTPN2PTPN1PTPN5ALDH1A1HSD17B10 | |
| SCHEMBL5219184 | 0.78 | RAB9A (0.44) | PTPN2PTPN1PTPN5HSPD1HSPE1 | |
| SCHEMBL5217963 | 0.78 | NPC1 (0.46) | PTPN2PTPN1PTPN5HSPD1HSPE1 | |
| SCHEMBL5216455 | 0.78 | NPC1 (0.42) | PTPN2PTPN1PTPN5HSPD1HSPE1 | |
| SCHEMBL29000685 | 0.77 | MET (0.64) | ALDH1A1HSD17B10MEN1KMT2ANPC1 | |
| SCHEMBL5215815 | 0.76 | GRM4 (0.54) | ALDH1A1HSD17B10MEN1KMT2ANPC1 | |
| SCHEMBL5217080 | 0.76 | NPC1 (0.45) | ALDH1A1HSD17B10MEN1KMT2ANPC1 |
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 |