Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | CDK2 | P24941 | 2/20 | 0.51 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.51 |
| ▸ | IDH1 | O75874 | 1/20 | 0.48 |
| ▸ | IDH2 | P48735 | 1/20 | 0.48 |
| ▸ | GPR119 | Q8TDV5 | 6/20 | 0.47 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.47 |
| ▸ | SYK | P43405 | 1/20 | 0.47 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.46 |
| ▸ | BTK | Q06187 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL14190733 | 0.87 | ALDH1A1 (0.55) | ADORA2AALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL12367077 | 0.87 | ALDH1A1 (0.55) | ADORA2AALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL3778502 | 0.84 | ALDH1A1 (0.55) | ADORA2AALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL3775324 | 0.84 | IDH1 (0.60) | ADORA2AALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL4062890 | 0.84 | GPR119 (0.61) | ADORA2AALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL27227572 | 0.84 | CTSK (0.55) | ADORA2AALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL30874475 | 0.84 | CTSK (0.55) | ADORA2AALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL3789071 | 0.82 | ALDH1A1 (0.54) | ADORA2AALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL12367054 | 0.82 | ADORA2A (0.52) | ADORA2AALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL21876063 | 0.81 | ALDH1A1 (0.60) | ADORA2AALDH1A1NPC1MAPTMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008071587-A2 | 2-(PIPERIDIN-4-YL)-4-PHENOXY- OR PHENYLAMINO-PYRIMIDINE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-06-19 | — | — | WO | disclosed |