Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 7/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | PI4KA | P42356 | 3/20 | 0.36 |
| ▸ | PI4K2B | Q8TCG2 | 3/20 | 0.36 |
| ▸ | PI4K2A | Q9BTU6 | 3/20 | 0.36 |
| ▸ | PI4KB | Q9UBF8 | 3/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17283090 | 0.76 | MAP4K4 (0.38) | MAP4K4TRPA1PI4KAPI4K2BPI4K2A | |
| SCHEMBL3965133 | 0.75 | MAP4K4 (0.42) | MAP4K4PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL6029471 | 0.72 | PI4KA (0.47) | MAP4K4PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL7211994 | 0.71 | PI4KA (0.49) | MAP4K4PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL9668597 | 0.71 | PI4KA (0.60) | PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL5481178 | 0.70 | PI4KA (0.67) | PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL6683145 | 0.69 | PI4KA (0.42) | MAP4K4PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL16487356 | 0.69 | PI4KA (0.65) | PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL27741346 | 0.69 | PI4KA (0.65) | PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL19686245 | 0.68 | PI4KA (0.51) | PI4KAPI4K2BPI4K2API4KB |
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 |
|---|---|---|---|---|---|---|---|
| EP-3145512-B1 | SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS | JIANGSU HENGRUI MEDICINE CO (CN) | 2019-07-17 | — | — | EP | disclosed |