Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 7/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 7/20 | 0.39 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSP90B1 | P14625 | 4/20 | 0.36 |
| ▸ | TRAP1 | Q12931 | 3/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.35 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.35 |
| ▸ | PRMT5 | O14744 | 2/20 | 0.34 |
| ▸ | WDR77 | Q9BQA1 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.32 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.32 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 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 | |
|---|---|---|---|---|
| SCHEMBL4581531 | 0.74 | HSP90AA1 (0.59) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL12468338 | 0.70 | GAA (0.52) | MAPK3MAPK1CREBBPCXCR2KAT2B | |
| SCHEMBL17766549 | 0.67 | MAPK1 (0.47) | MAPK3MAPK1CREBBPCXCR2KAT2B | |
| SCHEMBL31391653 | 0.65 | GRIK1 (0.49) | MAPK3MAPK1CREBBPCXCR2KDM4E | |
| SCHEMBL1220618 | 0.64 | KDM4E (0.51) | HSP90AA1HSP90AB1MAPK3MAPK1CREBBP | |
| SCHEMBL17646442 | 0.63 | CHRM3 (0.45) | — | |
| SCHEMBL17766571 | 0.61 | CXCR2 (0.48) | MAPK3MAPK1CREBBPCXCR2KAT2B | |
| SCHEMBL17766548 | 0.60 | MAPK3 (0.41) | MAPK3MAPK1CREBBPCXCR2KAT2B | |
| SCHEMBL20960555 | 0.60 | PKM (0.54) | MAPK3MAPK1KDM4EKAT2BBAZ2B | |
| SCHEMBL1221188 | 0.57 | TP53 (0.48) | HSP90AA1HSP90AB1HSP90B1TRAP1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008024961-A1 | DIHYDROPYRIDAZINE, TETRAHYDROPYRIDINE, CHROMANONE, AND DIHYDRONAPHTHALENONE DERIVATIVES AS HEAT-SHOCK PROTEIN 90 INHIBITORS | SERENEX, INC. (US) | 2008-02-28 | — | — | WO | disclosed |