Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | CASP6 | P55212 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 15/20 | 0.38 |
| ▸ | MAOB | P27338 | 15/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5080779 | 0.74 | HSP90AA1 (0.53) | HSP90AA1HSP90AB1KDM4ENSD2MAPT | |
| SCHEMBL5086467 | 0.73 | HSP90AA1 (0.51) | HSP90AA1HSP90AB1KDM4ENSD2MAPT | |
| SCHEMBL5083233 | 0.69 | HSP90AA1 (0.49) | HSP90AA1HSP90AB1KDM4ENSD2MAPT | |
| SCHEMBL6404447 | 0.69 | MAOA (0.45) | RAD52KDM4ENSD2MAPTCASP7 | |
| SCHEMBL10949657 | 0.66 | KDM4E (0.64) | HSP90AA1HSP90AB1RAD52KDM4ENSD2 | |
| SCHEMBL5083304 | 0.65 | MAOA (0.49) | HSP90AA1HSP90AB1RAD52KDM4ENSD2 | |
| SCHEMBL4730513 | 0.65 | KDM4E (0.68) | HSP90AA1HSP90AB1RAD52KDM4ENSD2 | |
| SCHEMBL4730492 | 0.62 | MAOA (0.77) | HSP90AA1HSP90AB1KDM4ENSD2MAPT | |
| SCHEMBL28795328 | 0.61 | KDM4E (0.39) | HSP90AB1KDM4EMAPTNQO2PDE4A | |
| SCHEMBL4729708 | 0.61 | MAOA (0.67) | HSP90AA1HSP90AB1RAD52KDM4ENSD2 |
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-2008021210-A2 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS | COMBINATORX, INCORPORATED (US) | 2008-02-21 | — | — | WO | disclosed |