Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 3/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.36 |
| ▸ | NFATC1 | O95644 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15808413 | 0.75 | NOS1 (0.53) | TRPA1HTTNOS1CA1CA2 | |
| SCHEMBL31302639 | 0.75 | NOS1 (0.53) | TRPA1HTTNOS1CA1CA2 | |
| Hydrochloric Acid SCHEMBL23290737 | 0.74 | NOS1 (0.52) | TRPA1HTTNOS1CA1CA2 | |
| SCHEMBL1661233 | 0.73 | CA1 (0.39) | HTTDYRK1ANFATC1GSK3BCA1 | |
| SCHEMBL29254424 | 0.73 | ALDH1A1 (0.54) | KDM4EMAPTHPGDHSD17B10 | |
| SCHEMBL30345130 | 0.73 | ALDH1A1 (0.54) | KDM4EMAPTHPGDHSD17B10 | |
| SCHEMBL325731 | 0.68 | KDM4E (0.53) | NOS1KDM4EHSD17B10TDP1METAP2 | |
| SCHEMBL29479307 | 0.68 | KDM4E (0.53) | NOS1KDM4EHSD17B10TDP1METAP2 | |
| SCHEMBL16132482 | 0.68 | CCR1 (0.55) | HTTCA1CA2KDM4EMAPT | |
| Hydrochloric Acid SCHEMBL30345228 | 0.67 | KDM4E (0.52) | NOS1KDM4EHSD17B10TDP1METAP2 |
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-2490692-A1 | QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | Merck Sharp & Dohme Corp. (US) | 2012-08-29 | — | — | EP | claimed |
| WO-2011049731-A1 | QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2011-04-28 | — | — | WO | claimed |