Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | GAA | P10253 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MIF | P14174 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL5215869 | 0.81 | AHR (0.48) | AHRKDM4EMAPTALDH1A1GAA | |
| SCHEMBL5217889 | 0.79 | MAPT (0.47) | AHRKDM4EMAPTALDH1A1GAA | |
| SCHEMBL5221390 | 0.79 | MIF (0.47) | AHRKDM4EMAPTALDH1A1GAA | |
| SCHEMBL14380692 | 0.79 | MIF (0.47) | AHRKDM4EMAPTALDH1A1GAA | |
| SCHEMBL5219303 | 0.78 | GRM4 (0.44) | AHRKDM4EMAPTALDH1A1GAA | |
| SCHEMBL5220967 | 0.77 | AHR (0.45) | AHRKDM4EMAPTALDH1A1GAA | |
| SCHEMBL5215762 | 0.76 | AHR (0.49) | AHRKDM4EMAPTALDH1A1GAA | |
| SCHEMBL5219139 | 0.74 | MIF (0.48) | AHRKDM4EMAPTALDH1A1GAA | |
| SCHEMBL5220201 | 0.74 | AHR (0.42) | AHRKDM4EMAPTALDH1A1GAA | |
| SCHEMBL5216628 | 0.74 | AHR (0.47) | AHRKDM4EMAPTALDH1A1GAA |
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 2 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 |
| WO-2004030637-A2 | TREATMENT OF OBESITY AND OTHER DISORDERS ASSOCIATED WITH EXCESSIVE FOOD INTAKE | MERCK & CO., INC. (US) | 2004-04-15 | — | — | WO | claimed |