Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PI4KA | P42356 | 5/20 | 0.61 |
| ▸ | PI4K2B | Q8TCG2 | 5/20 | 0.61 |
| ▸ | PI4K2A | Q9BTU6 | 5/20 | 0.61 |
| ▸ | PI4KB | Q9UBF8 | 5/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | EGFR | P00533 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | XDH | P47989 | 8/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL30788410 | 1.00 | PI4KA (0.61) | PI4KAPI4K2BPI4K2API4KBKDM4E | |
| SCHEMBL1597202 | 0.76 | PI4KA (0.61) | PI4KAPI4K2BPI4K2API4KBKDM4E | |
| SCHEMBL130407 | 0.76 | PI4KA (1.00) | PI4KAPI4K2BPI4K2API4KBKDM4E | |
| SCHEMBL5025526 | 0.74 | SIGMAR1 (0.64) | PI4KAPI4K2BPI4K2API4KBKDM4E | |
| SCHEMBL11981833 | 0.72 | XDH (0.64) | PI4KAPI4K2BPI4K2API4KBKDM4E | |
| SCHEMBL29773082 | 0.72 | PI4KA (0.61) | PI4KAPI4K2BPI4K2API4KBKDM4E | |
| SCHEMBL26658518 | 0.72 | PI4KA (0.61) | PI4KAPI4K2BPI4K2API4KBKDM4E | |
| SCHEMBL27500851 | 0.72 | SIGMAR1 (0.57) | PI4KAPI4K2BPI4K2API4KBKDM4E | |
| SCHEMBL12206789 | 0.72 | PI4KB (0.61) | PI4KAPI4K2BPI4K2API4KBKDM4E | |
| SCHEMBL156688 | 0.72 | PI4KA (0.61) | PI4KAPI4K2BPI4K2API4KBKDM4E |
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-111433205-B | Polycyclic compounds as allosteric SHP2 inhibitors | 锐新医药公司 | 2024-01-19 | — | — | CN | disclosed |