Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PI4KA | P42356 | 1/20 | 0.50 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.50 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.50 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.50 |
| ▸ | PDE2A | O00408 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | NSD2 | O96028 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 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 | |
|---|---|---|---|---|
| SCHEMBL21282826 | 1.00 | PI4KA (0.50) | PI4KAPI4K2BPI4K2API4KBPDE2A | |
| Hydrochloric Acid SCHEMBL29389209 | 0.81 | PI4KA (0.45) | PI4KAPI4K2BPI4K2API4KBPDE2A | |
| SCHEMBL21282811 | 0.79 | PDE2A (0.45) | PI4KAPI4K2BPI4K2API4KBPDE2A | |
| SCHEMBL21282829 | 0.79 | SRC (0.41) | SRC | |
| SCHEMBL29388395 | 0.79 | SRC (0.41) | SRC | |
| Hydrochloric Acid SCHEMBL29386511 | 0.79 | SRC (0.44) | SRC | |
| Hydrochloric Acid SCHEMBL29389442 | 0.79 | PI4KA (0.43) | PI4KAPI4K2BPI4K2API4KBALDH1A1 | |
| SCHEMBL130702 | 0.78 | PI4KA (0.56) | PI4KAPI4K2BPI4K2API4KBPDE2A | |
| Hydrochloric Acid SCHEMBL29386515 | 0.78 | SRC (0.40) | SRC | |
| Hydrochloric Acid SCHEMBL29389071 | 0.78 | KDM4E (0.39) | KMT2ASRCKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3955929-A1 | NEW PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING | Université de Liège (BE) | 2022-02-23 | — | — | EP | claimed |
| CN-114286711-A | Bicyclic heterocyclic compounds as inhibitors of BCDIN3D activity | 风暴治疗有限公司 | 2022-04-05 | — | — | CN | disclosed |
| EP-3955929-A1 | NEW PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING | Université de Liège (BE) | 2022-02-23 | — | — | EP | disclosed |