Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.69 |
| ▸ | CSF1R | P07333 | 9/20 | 0.68 |
| ▸ | GAA | P10253 | 2/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.66 |
| ▸ | HTT | P42858 | 3/20 | 0.66 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.66 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.66 |
| ▸ | NPC1 | O15118 | 3/20 | 0.62 |
| ▸ | RAB9A | P51151 | 3/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.62 |
| ▸ | MAPT | P10636 | 2/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.62 |
| ▸ | USP2 | O75604 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.56 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL20598518 | 0.83 | NPC1 (0.66) | CYP1A2CYP2C9CYP2C19CSF1RGAA | |
| SCHEMBL20598696 | 0.81 | NPC1 (0.64) | CYP1A2CYP2C9CYP2C19CSF1RGAA | |
| SCHEMBL20598450 | 0.81 | NPC1 (0.64) | CYP1A2CYP2C9CYP2C19CSF1RGAA | |
| SCHEMBL30501343 | 0.81 | NPC1 (0.64) | CYP1A2CYP2C9CYP2C19CSF1RGAA | |
| SCHEMBL13147762 | 0.81 | CSF1R (1.00) | CYP1A2CYP2C9CYP2C19CSF1RGAA | |
| SCHEMBL20598829 | 0.81 | NPC1 (0.72) | CYP1A2CYP2C9CYP2C19CSF1RGAA | |
| SCHEMBL13167004 | 0.80 | ALDH1A1 (1.00) | CYP1A2CYP2C9CYP2C19CSF1RGAA | |
| SCHEMBL20623368 | 0.79 | PIM1 (0.52) | CYP1A2CYP2C9CYP2C19CSF1RGAA | |
| SCHEMBL28383104 | 0.78 | CYP1A2 (0.58) | CYP1A2CYP2C9CYP2C19CSF1RGAA | |
| SCHEMBL20598498 | 0.78 | NPC1 (0.65) | CYP1A2CYP2C9CYP2C19CSF1RGAA |
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-2019006126-A1 | KINASE INHIBITORS AND METHODS FOR MAKING AND USING | RIGEL PHARMACEUTICALS, INC. (US) | 2019-01-03 | — | — | WO | disclosed |