Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90B1 | P14625 | 3/20 | 0.71 |
| ▸ | AHCY | P23526 | 11/20 | 0.60 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.55 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.55 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.55 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL22797654 | 1.00 | HSP90B1 (0.71) | HSP90B1AHCYTSHRMAPK1ADORA2A | |
| SCHEMBL24673147 | 1.00 | HSP90B1 (0.71) | HSP90B1AHCYTSHRMAPK1ADORA2A | |
| SCHEMBL24674066 | 0.84 | HSP90B1 (0.58) | HSP90B1AHCYADORA2AADORA2BHSP90AA1 | |
| SCHEMBL8104706 | 0.83 | HSP90B1 (1.00) | HSP90B1AHCYTSHRMAPK1ADORA2A | |
| SCHEMBL22797652 | 0.81 | HSP90B1 (0.73) | HSP90B1AHCYTSHRMAPK1ADORA2A | |
| SCHEMBL22799589 | 0.81 | HSP90B1 (0.73) | HSP90B1AHCYTSHRMAPK1ADORA2A | |
| SCHEMBL23982071 | 0.80 | ADORA3 (0.64) | HSP90B1AHCYMAPK1ADORA2AADORA2B | |
| SCHEMBL2983119 | 0.80 | ADORA3 (0.64) | HSP90B1AHCYMAPK1ADORA2AADORA2B | |
| SCHEMBL22799279 | 0.80 | ADORA3 (0.64) | HSP90B1AHCYMAPK1ADORA2AADORA2B | |
| SCHEMBL22797512 | 0.80 | ADORA3 (0.64) | HSP90B1AHCYMAPK1ADORA2AADORA2B |
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-2020249663-A1 | NOVEL SPIROBICYCLIC INTERMEDIATES | JANSSEN PHARMACEUTICA NV (BE) | 2020-12-17 | — | — | WO | disclosed |