Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8130863 | 0.79 | KDM4E (0.34) | KDM4EALDH1A1HPGD | |
| SCHEMBL7474688 | 0.76 | KDM4E (0.35) | KDM4EALDH1A1 | |
| SCHEMBL7561013 | 0.71 | HPD (0.33) | — | |
| SCHEMBL18081339 | 0.68 | CA1 (0.35) | ALDH1A1 | |
| SCHEMBL13902883 | 0.65 | ADRA2A (0.46) | KDM4EALDH1A1HPGD | |
| SCHEMBL27443955 | 0.64 | ALDH1A1 (0.42) | ALDH1A1HPGD | |
| SCHEMBL12327553 | 0.63 | PARP1 (0.39) | KDM4EALDH1A1HPGD | |
| SCHEMBL7761381 | 0.62 | TDP2 (0.44) | KDM4EALDH1A1HPGD | |
| SCHEMBL255969 | 0.62 | KEAP1 (0.55) | — | |
| SCHEMBL8405560 | 0.61 | ITGB2 (0.36) | KDM4EALDH1A1HPGD |
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-0888334-A1 | 2-HETAROYLCYCLOHEXANE-1,3-DIONES | BASF AKTIENGESELLSCHAFT (DE) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997030986-A1 | 2-HETAROYLCYCLOHEXANE-1,3-DIONES | BASF AKTIENGESELLSCHAFT (DE) | 1997-08-28 | — | — | WO | disclosed |