Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 3/20 | 0.54 |
| ▸ | PLK1 | P53350 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.44 |
| ▸ | RET | P07949 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CCNC | P24863 | 1/20 | 0.44 |
| ▸ | CDK8 | P49336 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9304589 | 0.88 | AURKA (0.47) | CHEK2PLK1TDP1HDAC6HDAC8 | |
| SCHEMBL12430882 | 0.83 | HSP90AA1 (0.69) | CHEK2PLK1HSP90AA1ESR2TDP1 | |
| SCHEMBL17821410 | 0.83 | HSP90AA1 (0.51) | CHEK2HSP90AA1ESR2TDP1SMN1; SMN2 | |
| SCHEMBL6217370 | 0.82 | HTT (0.64) | HSP90AA1ESR2TDP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL766093 | 0.81 | HSP90AA1 (0.66) | CHEK2HSP90AA1ESR2TDP1SMN1; SMN2 | |
| SCHEMBL7868231 | 0.80 | CHEK2 (0.60) | CHEK2 | |
| SCHEMBL29242251 | 0.80 | HSP90AA1 (0.64) | CHEK2HSP90AA1ESR2TDP1SMN1; SMN2 | |
| SCHEMBL7868225 | 0.80 | HSP90AA1 (0.47) | CHEK2HSP90AA1ESR2TDP1SMN1; SMN2 | |
| SCHEMBL14336559 | 0.79 | ALDH1A1 (0.54) | CHEK2PLK1HSP90AA1ESR2TDP1 | |
| SCHEMBL19954465 | 0.79 | CHEK2 (0.52) | CHEK2PLK1HSP90AA1ESR2TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5347008-A | Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents | CIBA-GEIGY CORPORATION (US) | 1994-09-13 | — | — | US | disclosed |