Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.64 |
| ▸ | RAB9A | P51151 | 6/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | HTT | P42858 | 4/20 | 0.61 |
| ▸ | CSF1R | P07333 | 4/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | GAA | P10253 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | MAPK10 | P53779 | 4/20 | 0.60 |
| ▸ | HPGD | P15428 | 2/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | TP53 | P04637 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL20598450 | 1.00 | NPC1 (0.64) | NPC1RAB9ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20598626 | 0.92 | CSF1R (0.61) | NPC1RAB9ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20598518 | 0.90 | NPC1 (0.66) | NPC1RAB9ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20598571 | 0.86 | CYP1A2 (0.55) | NPC1RAB9ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20598286 | 0.86 | KMT2A (0.66) | NPC1RAB9ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20598696 | 0.84 | NPC1 (0.64) | NPC1RAB9ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20598829 | 0.84 | NPC1 (0.72) | NPC1RAB9ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20598665 | 0.83 | PIM1 (0.47) | NPC1RAB9ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20598537 | 0.83 | CYP1A2 (0.74) | NPC1RAB9ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL30501377 | 0.83 | PIM1 (0.47) | NPC1RAB9ACYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111032642-B | Kinase inhibitors and methods of making and using the same | 里格尔药品股份有限公司 | 2023-07-18 | — | — | CN | disclosed |