Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | STAT3 | P40763 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 6/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.39 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23058147 | 0.76 | THRA (0.33) | SLC6A2SLC6A3MAPT | |
| SCHEMBL23058476 | 0.75 | NPSR1 (0.36) | MAPK1GAAMAPT | |
| SCHEMBL14640215 | 0.75 | MGLL (0.49) | NPC1CASP1RAB9ACYP2C9CYP2C19 | |
| SCHEMBL1765662 | 0.74 | NPC1 (0.50) | NPC1CASP1RAB9ACYP2C9CYP2C19 | |
| SCHEMBL23058148 | 0.73 | MAPT (0.35) | MAPT | |
| SCHEMBL1765677 | 0.73 | MGLL (0.50) | NPC1CASP1RAB9ACYP2C9CYP2C19 | |
| SCHEMBL28291146 | 0.73 | MGLL (0.50) | L3MBTL1NPC1CASP1RAB9ACYP2C9 | |
| Hexane SCHEMBL28004600 | 0.73 | MGLL (0.63) | NPC1CASP1RAB9ACYP2C19CYP2D6 | |
| SCHEMBL23058738 | 0.72 | PPARA (0.50) | CYP3A4TSHRCYP1A2MAPK1SMN1; SMN2 | |
| SCHEMBL23058181 | 0.72 | PDE2A (0.39) | CYP2C9CYP2C19CYP3A4CYP2D6TSHR |
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-2021041588-A1 | SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-03-04 | — | — | WO | disclosed |