Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.70 |
| ▸ | LMNA | P02545 | 1/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.70 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.70 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL11849196 | 1.00 | ALDH1A1 (0.70) | ALDH1A1LMNACYP3A4TDP1HCAR2 | |
| SCHEMBL11841417 | 0.89 | ALDH1A1 (0.58) | ALDH1A1LMNACYP3A4TDP1HCAR2 | |
| SCHEMBL11841421 | 0.89 | ALDH1A1 (0.58) | ALDH1A1LMNACYP3A4TDP1HCAR2 | |
| SCHEMBL11851893 | 0.85 | CYP3A4 (0.55) | ALDH1A1LMNACYP3A4TDP1 | |
| SCHEMBL11851890 | 0.85 | CYP3A4 (0.55) | ALDH1A1LMNACYP3A4TDP1 | |
| SCHEMBL11846280 | 0.85 | ALDH1A1 (0.56) | ALDH1A1LMNACYP3A4TDP1 | |
| SCHEMBL11839580 | 0.85 | ALDH1A1 (0.56) | ALDH1A1LMNACYP3A4TDP1 | |
| SCHEMBL19599505 | 0.85 | ALDH1A1 (0.56) | ALDH1A1LMNACYP3A4TDP1 | |
| SCHEMBL11840666 | 0.83 | LMNA (0.52) | ALDH1A1LMNACYP3A4TDP1 | |
| SCHEMBL11840664 | 0.83 | CYP3A4 (0.52) | ALDH1A1LMNACYP3A4TDP1 |
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-3966780-A | PESTICIDES, INSECTICIDES | HOFFMANN-LA ROCHE INC. (US) | 1976-06-29 | — | — | US | disclosed |