Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | NCF1 | P14598 | 3/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.49 |
| ▸ | MIF | P14174 | 1/20 | 0.43 |
| ▸ | BMPR1B | O00238 | 4/20 | 0.43 |
| ▸ | ACVR1B | P36896 | 4/20 | 0.43 |
| ▸ | ACVRL1 | P37023 | 4/20 | 0.43 |
| ▸ | ACVR1 | Q04771 | 4/20 | 0.43 |
| ▸ | BMPR1A | P36894 | 3/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5224704 | 0.81 | AHR (0.47) | AHRKDM4EALDH1A1MAPTGAA | |
| SCHEMBL5219139 | 0.78 | MIF (0.48) | AHRKDM4EALDH1A1MAPTGAA | |
| SCHEMBL5221390 | 0.78 | MIF (0.47) | AHRKDM4EALDH1A1MAPTGAA | |
| SCHEMBL5215762 | 0.78 | AHR (0.49) | AHRKDM4EALDH1A1MAPTGAA | |
| SCHEMBL5215869 | 0.78 | AHR (0.48) | AHRKDM4EALDH1A1MAPTGAA | |
| SCHEMBL5216782 | 0.77 | AHR (0.47) | AHRKDM4EALDH1A1MAPTGAA | |
| SCHEMBL5220309 | 0.76 | DHODH (0.49) | AHRKDM4EALDH1A1MAPTGAA | |
| SCHEMBL5216628 | 0.76 | AHR (0.47) | AHRKDM4EALDH1A1MAPTGAA | |
| SCHEMBL5220905 | 0.76 | AHR (0.47) | AHRKDM4EALDH1A1MAPTGAA | |
| SCHEMBL5218683 | 0.75 | MIF (0.45) | AHRKDM4EALDH1A1MAPTGAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-2003051833-A2 | HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO., INC. (US) | 2003-06-26 | — | — | WO | claimed |