Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CARM1 | Q86X55 | 13/20 | 0.46 |
| ▸ | PRMT6 | Q96LA8 | 13/20 | 0.46 |
| ▸ | PRMT8 | Q9NR22 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL681608 | 0.84 | CARM1 (0.62) | CYP3A4CYP2D6L3MBTL1ALDH1A1ALOX15 | |
| Pyridine SCHEMBL1514812 | 0.81 | CYP3A4 (0.44) | CYP3A4CYP2D6L3MBTL1ALDH1A1ALOX15 | |
| Benzene SCHEMBL28877638 | 0.78 | SIGMAR1 (0.47) | CYP3A4CYP2D6L3MBTL1ALDH1A1ALOX15 | |
| Pyridine SCHEMBL28152800 | 0.78 | SIGMAR1 (0.47) | CYP3A4CYP2D6L3MBTL1ALDH1A1ALOX15 | |
| Pyridine SCHEMBL28287143 | 0.77 | CYP3A4 (0.44) | CYP3A4CYP2D6L3MBTL1ALDH1A1ALOX15 | |
| Pyridine SCHEMBL28076683 | 0.77 | CYP3A4 (0.44) | CYP3A4CYP2D6L3MBTL1ALDH1A1ALOX15 | |
| Pyridine SCHEMBL28209413 | 0.77 | CYP3A4 (0.44) | CYP3A4CYP2D6L3MBTL1ALDH1A1ALOX15 | |
| SCHEMBL2910907 | 0.77 | CARM1 (0.65) | CYP3A4CYP2D6CARM1PRMT6PRMT8 | |
| Pyridine SCHEMBL28141133 | 0.77 | SIGMAR1 (0.41) | CYP3A4CYP2D6L3MBTL1ALDH1A1ALOX15 | |
| Pyridine SCHEMBL28212314 | 0.77 | SIGMAR1 (0.45) | CYP3A4CYP2D6L3MBTL1ALDH1A1ALOX15 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104968656-B | autotaxin inhibitors | 诺华股份有限公司 | 2017-08-11 | — | — | CN | disclosed |