Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.38 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MARS2 | Q96GW9 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL11233728 | 0.78 | ALDH1A1 (0.44) | ALDH1A1ALDH1A2ALDH2ALDH1A3CYP3A4 | |
| SCHEMBL11224471 | 0.78 | ALDH1A2 (0.39) | ALDH1A1ALDH1A2ALDH2ALDH1A3CYP3A4 | |
| SCHEMBL11606158 | 0.73 | CYP3A4 (0.36) | ALDH1A1ALDH1A2ALDH2ALDH1A3CYP3A4 | |
| SCHEMBL3452658 | 0.70 | CYP1A2 (0.35) | ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL11230670 | 0.67 | ALDH1A1 (0.50) | ALDH1A1ALDH1A2ALDH2ALDH1A3CYP3A4 | |
| SCHEMBL17993822 | 0.67 | HDAC3 (0.43) | ALDH1A1CYP3A4KMT2AMEN1CYP2C19 | |
| SCHEMBL11238386 | 0.67 | CYP3A4 (0.42) | ALDH1A1ALDH1A2ALDH2ALDH1A3CYP3A4 | |
| SCHEMBL11220423 | 0.65 | CYP3A4 (0.44) | ALDH1A1ALDH1A2ALDH2ALDH1A3CYP3A4 | |
| SCHEMBL11238750 | 0.65 | CYP2C9 (0.44) | ALDH1A1ALDH1A2ALDH2ALDH1A3CYP3A4 | |
| SCHEMBL11228093 | 0.64 | ALDH1A1 (0.44) | ALDH1A1ALDH1A2ALDH2ALDH1A3CYP3A4 |
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-4330323-A | Dichloroacetamide and trichloroacetamide derivatives which are antidotes against herbicides | PCUK PRODUITS CHIMIQUES UGINE KUHLMANN (FR) | 1982-05-18 | — | — | US | disclosed |