Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL8878076 | 0.89 | ALDH1A1 (0.34) | ALDH1A1SMN1; SMN2LMNAHTTCYP1A2 | |
| SCHEMBL8878018 | 0.86 | ALDH1A1 (0.34) | ALDH1A1SMN1; SMN2LMNAHTTCYP1A2 | |
| SCHEMBL8878286 | 0.85 | ALDH1A1 (0.34) | ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7875364 | 0.83 | HPGD (0.38) | LMNACYP1A2CYP3A4 | |
| SCHEMBL8747110 | 0.78 | ALDH1A1 (0.33) | ALDH1A1SMN1; SMN2LMNAHTTCYP1A2 | |
| SCHEMBL8878562 | 0.78 | ALDH1A1 (0.31) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL8878550 | 0.78 | ALDH1A1 (0.31) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL14141359 | 0.72 | ALDH1A1 (0.31) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL3597158 | 0.72 | KCNQ2 (0.39) | ALDH1A1 | |
| SCHEMBL8877840 | 0.71 | ALDH1A1 (0.31) | ALDH1A1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5631208-A | Herbicidal cyclohexane-1,3-dione derivatives and their preparation process | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 1997-05-20 | — | — | US | disclosed |
| WO-1994003443-A1 | HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES AND THEIR PREPARATION PROCESS | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 1994-02-17 | — | — | WO | disclosed |