Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYK2 | P29597 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | FEN1 | P39748 | 1/20 | 0.46 |
| ▸ | FABP3 | P05413 | 1/20 | 0.41 |
| ▸ | FABP4 | P15090 | 1/20 | 0.41 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | ITGB1 | P05556 | 3/20 | 0.40 |
| ▸ | ITGA4 | P13612 | 3/20 | 0.40 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.40 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.40 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL8239577 | 0.88 | FEN1 (0.57) | TYK2ALDH1A1FEN1JAK2JAK1 | |
| SCHEMBL17111287 | 0.86 | MEN1 (0.45) | ALDH1A1FEN1LMNAHPGDMEN1 | |
| SCHEMBL24451122 | 0.81 | CA9 (0.48) | TYK2ALDH1A1FEN1JAK2JAK1 | |
| SCHEMBL5997944 | 0.80 | TYK2 (0.44) | TYK2ALDH1A1FEN1FABP3FABP4 | |
| SCHEMBL6462215 | 0.79 | MEN1 (0.56) | TYK2ALDH1A1FEN1JAK2JAK1 | |
| SCHEMBL24451114 | 0.79 | JAK1 (0.46) | TYK2ALDH1A1FEN1JAK2JAK1 | |
| SCHEMBL10158530 | 0.78 | CA9 (0.55) | ALDH1A1LMNAMEN1CYP3A4PTGS1 | |
| SCHEMBL10562280 | 0.78 | CA12 (0.59) | TYK2ALDH1A1LMNAHPGDMEN1 | |
| SCHEMBL476833 | 0.78 | ALDH1A1 (0.71) | TYK2ALDH1A1FEN1FABP3FABP4 | |
| SCHEMBL30676249 | 0.78 | FABP3 (0.55) | TYK2ALDH1A1FEN1FABP3FABP4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9603838-B2 | RORgammaT inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-03-28 | — | — | US | disclosed |
| US-5103022-A | Reacting dl-2-methyl-1-(4-trifluoromethylphenyl)-3-pyrrolidino -1-propanone with l-acetylphenylglycine to form corresponding diastereomeric salt, deposition, isolation of l-2-methyl-1-(4-trifluoromethylphenyl)-3-pyrrolidino-1-propanone | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 1992-04-07 | — | — | US | disclosed |
| US-5057535-A | Muscle relaxants | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 1991-10-15 | — | — | US | disclosed |
| EP-0200942-A2 | New derivatives of an aminoketone | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 1986-11-12 | — | — | EP | disclosed |