Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | USP2 | O75604 | 1/20 | 0.57 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 5/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.51 |
| ▸ | ABCG2 | Q9UNQ0 | 6/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4229755 | 0.87 | ABCG2 (0.59) | CYP3A4CYP1A2TSHRALDH1A1LMNA | |
| SCHEMBL28819383 | 0.81 | CYP1A2 (0.55) | CYP3A4CYP1A2TSHRALDH1A1LMNA | |
| SCHEMBL28819378 | 0.81 | CYP1A2 (0.54) | CYP3A4CYP1A2TSHRALDH1A1LMNA | |
| SCHEMBL27796437 | 0.80 | CYP1A2 (0.62) | CYP3A4CYP1A2TSHRALDH1A1LMNA | |
| SCHEMBL7280796 | 0.73 | CYP1A2 (1.00) | CYP3A4CYP1A2TSHRALDH1A1LMNA | |
| SCHEMBL16388467 | 0.71 | TSHR (0.57) | CYP3A4CYP1A2TSHRALDH1A1LMNA | |
| SCHEMBL4053003 | 0.71 | MAPK8 (0.47) | CYP3A4CYP1A2TSHRALDH1A1LMNA | |
| SCHEMBL29961476 | 0.70 | MKNK1 (0.54) | CYP3A4CYP1A2ALDH1A1LMNAMAPT | |
| SCHEMBL12287874 | 0.70 | MAPT (0.51) | CYP3A4ALDH1A1LMNAMAPTKDM4E | |
| SCHEMBL14726035 | 0.69 | CYP1A2 (0.63) | CYP3A4CYP1A2TSHRALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-101679432-B | Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors | SIGNAL PHARM LLC | 2015-04-22 | — | — | CN | disclosed |
| EP-2078018-A1 | HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS | Signal Pharmaceuticals LLC (US) | 2009-07-15 | — | — | EP | disclosed |
| WO-2008051494-A1 | HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS | SIGNAL PHARMACEUTICALS, LLC (US) | 2008-05-02 | — | — | WO | disclosed |