Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | RARA | P10276 | 7/20 | 0.35 |
| ▸ | RARB | P10826 | 7/20 | 0.35 |
| ▸ | RARG | P13631 | 7/20 | 0.35 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.34 |
| ▸ | PLAT | P00750 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.32 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3343142 | 0.85 | NPC1 (0.48) | NPC1RAB9ATDP1HSD11B1RARA | |
| SCHEMBL3341183 | 0.80 | DPP4 (0.41) | NPC1RAB9ATP53HPGDTSHR | |
| SCHEMBL13330845 | 0.80 | HSD11B1 (0.34) | NPC1RAB9ATDP1HSD11B1RARA | |
| SCHEMBL3339985 | 0.79 | NPC1 (0.39) | NPC1RAB9ATDP1HSD11B1RARA | |
| SCHEMBL3343195 | 0.73 | NPC1 (0.47) | NPC1RAB9ATDP1RARARARB | |
| SCHEMBL3343797 | 0.73 | NPC1 (0.46) | NPC1RAB9AHPGDTDP1RARA | |
| SCHEMBL3343805 | 0.73 | NPC1 (0.46) | NPC1RAB9AHPGDTDP1RARA | |
| SCHEMBL2505933 | 0.72 | NPC1 (0.41) | NPC1RAB9AHPGDMAPK1NPSR1 | |
| SCHEMBL13303772 | 0.72 | NPC1 (0.41) | NPC1RAB9AHPGDTDP1L3MBTL1 | |
| SCHEMBL3339344 | 0.72 | DPP4 (0.41) | NPC1RAB9ATP53HPGDTSHR |
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-2010065760-A1 | IMIDAZO [1,2A] PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION | EXELIXIS, INC. (US) | 2010-06-10 | — | — | WO | disclosed |