Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.37 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.37 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.37 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.37 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.37 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13241065 | 0.86 | TDP1 (0.38) | CYP3A4TSHRLMNAL3MBTL1MAPT | |
| SCHEMBL10288012 | 0.85 | CYP3A4 (0.43) | CYP3A4TSHRCA9LMNAL3MBTL1 | |
| SCHEMBL9417892 | 0.83 | CYP3A4 (0.41) | CYP3A4TSHRLMNAL3MBTL1MAPT | |
| SCHEMBL11317160 | 0.83 | LMNA (0.47) | TSHRLMNAL3MBTL1MAPTTDP1 | |
| SCHEMBL16482745 | 0.82 | CYP3A4 (0.56) | CYP3A4TSHRCA9LMNAL3MBTL1 | |
| SCHEMBL21017307 | 0.81 | TSHR (0.69) | CYP3A4TSHRCA9LMNAL3MBTL1 | |
| SCHEMBL14221843 | 0.79 | TSHR (0.56) | CYP3A4TSHRCA9LMNAL3MBTL1 | |
| SCHEMBL13206099 | 0.79 | ERN1 (0.42) | LMNAL3MBTL1TDP1GAASMN1; SMN2 | |
| SCHEMBL8293084 | 0.79 | ALDH1A1 (0.63) | CYP3A4TSHRLMNAL3MBTL1MAPT | |
| SCHEMBL28421317 | 0.78 | LMNA (0.46) | CYP3A4TSHRLMNAL3MBTL1MAPT |
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-2332909-B1 | HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 | ASTEX THERAPEUTICS LTD (GB) | 2014-10-15 | — | — | EP | disclosed |
| EP-1877379-B1 | HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 | ASTEX THERAPEUTICS LTD (GB) | 2013-01-16 | — | — | EP | disclosed |