Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | PLA2G2D | Q9UNK4 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SRD5A2 | P31213 | 5/20 | 0.33 |
| ▸ | SRD5A1 | P18405 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | TPMT | P51580 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MRGPRX4 | Q96LA9 | 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 | |
|---|---|---|---|---|
| SCHEMBL3875585 | 0.80 | CHRNB2 (0.40) | ALDH1A1KDM4EMAPTKDM1ANPSR1 | |
| SCHEMBL4237737 | 0.80 | PNMT (0.46) | KDM1AMRGPRX4HDAC1HDAC6 | |
| SCHEMBL3883765 | 0.78 | KDM4C (0.40) | ALDH1A1KDM4EMAPTNPSR1SMN1; SMN2 | |
| SCHEMBL29238410 | 0.76 | ALDH1A1 (0.40) | ALDH1A1PLA2G2DKDM4EMAPTTDP1 | |
| SCHEMBL3875477 | 0.76 | KDM4C (0.39) | — | |
| SCHEMBL3875445 | 0.74 | GPER1 (0.39) | — | |
| SCHEMBL3873750 | 0.74 | IDH1 (0.34) | HDAC6 | |
| SCHEMBL3880392 | 0.74 | — | — | |
| Trifluoroacetic Acid SCHEMBL384702 | 0.73 | KDM1A (0.38) | ALDH1A1PLA2G2DKDM4ETDP1KDM1A | |
| SCHEMBL4564235 | 0.71 | TDP1 (0.46) | ALDH1A1KDM4EMAPTTDP1SRD5A2 |
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-1877379-A1 | HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 | Astex Therapeutics Limited (GB) | 2008-01-16 | — | — | EP | disclosed |
| WO-2006109085-A1 | HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 | ASTEX THERAPEUTICS LIMITED (GB) | 2006-10-19 | — | — | WO | disclosed |