Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7738288 | 0.85 | — | — | |
| SCHEMBL7738267 | 0.73 | POLB (0.35) | TBXAS1CYP19A1 | |
| SCHEMBL7740266 | 0.64 | ALDH1A1 (0.33) | ALDH1A1TBXAS1CYP19A1ESR1ESR2 | |
| SCHEMBL10944753 | 0.61 | TBXAS1 (0.53) | TBXAS1CYP19A1 | |
| SCHEMBL7737821 | 0.59 | HMOX2 (0.34) | ALDH1A1CYP19A1ESR1ESR2 | |
| SCHEMBL7737870 | 0.57 | CYP19A1 (0.67) | TBXAS1CYP19A1 | |
| SCHEMBL30858697 | 0.57 | MAPT (0.36) | — | |
| SCHEMBL8491984 | 0.56 | — | — | |
| SCHEMBL9568028 | 0.56 | — | — | |
| SCHEMBL4890544 | 0.55 | — | — |
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 |