Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 19/20 | 0.61 |
| ▸ | HSP90AB1 | P08238 | 10/20 | 0.56 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.54 |
| ▸ | CDC37 | Q16543 | 1/20 | 0.48 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL18534329 | 0.92 | HSP90AA1 (0.69) | HSP90AA1HSP90AB1ERBB2CDC37TRAP1 | |
| SCHEMBL11985173 | 0.89 | HSP90AA1 (0.59) | HSP90AA1HSP90AB1ERBB2CDC37TRAP1 | |
| SCHEMBL21442809 | 0.89 | HSP90AA1 (0.76) | HSP90AA1HSP90AB1ERBB2CDC37TRAP1 | |
| SCHEMBL1669635 | 0.88 | HSP90AB1 (0.64) | HSP90AA1HSP90AB1ERBB2CDC37TRAP1 | |
| SCHEMBL15980491 | 0.88 | HSP90AA1 (0.56) | HSP90AA1HSP90AB1ERBB2CDC37TRAP1 | |
| SCHEMBL15980479 | 0.88 | HSP90AA1 (0.56) | HSP90AA1HSP90AB1ERBB2CDC37TRAP1 | |
| SCHEMBL19265055 | 0.88 | HSP90AB1 (0.54) | HSP90AA1HSP90AB1ERBB2TRAP1 | |
| SCHEMBL17715305 | 0.88 | HSP90AA1 (0.60) | HSP90AA1HSP90AB1ERBB2CDC37TRAP1 | |
| SCHEMBL21442789 | 0.87 | HSP90AA1 (0.80) | HSP90AA1HSP90AB1CDC37TRAP1 | |
| SCHEMBL1672118 | 0.86 | HSP90AA1 (0.54) | HSP90AA1HSP90AB1ERBB2CDC37TRAP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3208615-B1 | USES OF LABELED HSP90 INHIBITORS | SLOAN KETTERING INST CANCER RES (US) | 2019-10-09 | — | — | EP | disclosed |
| EP-2729806-B1 | USES OF LABELED HSP90 INHIBITORS | SLOAN-KETTERING INST FOR CANCER RES (US) | 2017-02-22 | — | — | EP | disclosed |