Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HMOX2 | P30519 | 1/20 | 0.42 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.38 |
| ▸ | ESR1 | P03372 | 3/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL31010240 | 0.76 | TBXAS1 (0.52) | ALDH1A1TBXAS1CYP19A1 | |
| SCHEMBL7736983 | 0.71 | ALDH1A1 (0.40) | ALDH1A1TBXAS1CYP19A1ESR1ESR2 | |
| SCHEMBL7740335 | 0.67 | ALDH1A1 (0.46) | ALDH1A1HMOX2TBXAS1CYP19A1ESR1 | |
| SCHEMBL7241523 | 0.66 | ALDH1A1 (0.72) | ALDH1A1HMOX2CYP19A1 | |
| SCHEMBL27677685 | 0.66 | — | — | |
| SCHEMBL4682316 | 0.66 | — | — | |
| SCHEMBL1073206 | 0.65 | — | — | |
| SCHEMBL11500336 | 0.65 | — | — | |
| SCHEMBL77978 | 0.65 | — | — | |
| SCHEMBL4288375 | 0.64 | ALDH1A1 (0.62) | ALDH1A1HMOX2CYP19A1ESR1 |
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-RE37781-E1 | VIRICIDES, PROTEASE INHIBITOR | DUPONT PHARMACEUTICALS COMPANY | 2002-07-02 | — | — | US | disclosed |