Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | SRPK1 | Q96SB4 | 3/20 | 0.48 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | SRPK2 | P78362 | 1/20 | 0.47 |
| ▸ | SRPK3 | Q9UPE1 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.45 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.45 |
| ▸ | PIM1 | P11309 | 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 | |
|---|---|---|---|---|
| SCHEMBL20598698 | 1.00 | ALDH1A1 (0.49) | ALDH1A1HPGDKDM4ECYP1A2CYP2C9 | |
| SCHEMBL20598556 | 0.86 | CYP1A2 (0.49) | ALDH1A1HPGDKDM4ECYP1A2CYP2C9 | |
| SCHEMBL20598685 | 0.84 | CSF1R (0.49) | ALDH1A1IRAK4PIM1PIM3 | |
| SCHEMBL30501470 | 0.84 | CSF1R (0.49) | ALDH1A1IRAK4PIM1PIM3 | |
| SCHEMBL20598102 | 0.83 | IRAK4 (0.63) | ALDH1A1HPGDKDM4EHSD17B10TSHR | |
| SCHEMBL30501377 | 0.83 | PIM1 (0.47) | ALDH1A1CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL20598665 | 0.83 | PIM1 (0.47) | ALDH1A1CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL30501501 | 0.82 | PIM1 (0.51) | ALDH1A1KDM4ETSHRNPSR1HTT | |
| SCHEMBL20598482 | 0.82 | PIM1 (0.51) | ALDH1A1KDM4ETSHRNPSR1HTT | |
| SCHEMBL20598537 | 0.81 | CYP1A2 (0.74) | ALDH1A1HPGDCYP1A2CYP2C9CYP2C19 |
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 |