Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GRM1 | Q13255 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL22906223 | 0.74 | L3MBTL1 (0.38) | SMN1; SMN2KDM4EPOLBALDH1A1HPGD | |
| SCHEMBL908132 | 0.71 | HSD11B1 (0.40) | SMN1; SMN2PLD1KDM4EPOLBGRM1 | |
| SCHEMBL23875353 | 0.71 | PLD1 (0.52) | PLD1KDM4EPOLBGRM1ALDH1A1 | |
| SCHEMBL4799037 | 0.68 | NAPRT (0.32) | KDM4EMAPT | |
| SCHEMBL29991351 | 0.68 | GRIN2B (0.49) | PLD1KDM4EGRM1ALDH1A1GRIN2B | |
| SCHEMBL23875155 | 0.67 | KDM4E (0.48) | PLD1KDM4EGRM1ALDH1A1HSD17B10 | |
| SCHEMBL23875355 | 0.67 | ALDH1A1 (0.50) | PLD1KDM4EGRM1ALDH1A1HPGD | |
| SCHEMBL22837869 | 0.67 | HSD11B1 (0.50) | PLD1KDM4EGRM1ALDH1A1GRIN2B | |
| SCHEMBL23875206 | 0.67 | HSD11B1 (0.50) | PLD1KDM4EGRM1ALDH1A1GRIN2B | |
| SCHEMBL13149760 | 0.67 | PLD1 (0.51) | SMN1; SMN2PLD1KDM4EGRM1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3209664-B1 | BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2020-06-03 | — | — | EP | disclosed |