Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 15/20 | 0.51 |
| ▸ | HSP90AB1 | P08238 | 6/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL657219 | 0.70 | HSP90AA1 (0.79) | HSP90AA1HSP90AB1 | |
| SCHEMBL10147671 | 0.70 | HSP90AA1 (0.71) | HSP90AA1HSP90AB1 | |
| SCHEMBL659556 | 0.69 | HSP90AA1 (0.80) | HSP90AA1HSP90AB1 | |
| Hydrochloric Acid SCHEMBL656350 | 0.69 | HSP90AA1 (0.79) | HSP90AA1HSP90AB1 | |
| SCHEMBL13018337 | 0.61 | ALDH1A1 (0.65) | NPC1RAB9A | |
| SCHEMBL13018335 | 0.61 | ALDH1A1 (0.65) | NPC1RAB9A | |
| SCHEMBL3946527 | 0.61 | ALDH1A1 (0.65) | NPC1RAB9A | |
| SCHEMBL658704 | 0.59 | ESR1 (0.46) | HSP90AA1HSP90AB1NPC1RAB9A | |
| SCHEMBL1250905 | 0.57 | APP (0.48) | NPC1RAB9A | |
| SCHEMBL13018336 | 0.56 | ALDH1A1 (0.55) | — |
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-2421833-A1 | RESORCINOL DERIVATIVES AS HSP90 INHIBITORS | Nerviano Medical Sciences S.r.l. (IT) | 2012-02-29 | — | — | EP | disclosed |