Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 9/20 | 0.56 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | FNTA | P49354 | 1/20 | 0.40 |
| ▸ | FNTB | P49356 | 1/20 | 0.40 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7738307 | 0.85 | HTR2A (0.42) | CYP19A1CYP2D6 | |
| SCHEMBL27709549 | 0.79 | CYP19A1 (0.52) | CYP19A1CYP11B1CYP11B2IDO1POLB | |
| SCHEMBL8865557 | 0.73 | CYP19A1 (1.00) | CYP19A1CYP11B1CYP11B2TBXAS1POLB | |
| SCHEMBL27730056 | 0.72 | POLB (0.51) | CYP19A1CYP11B1CYP11B2IDO1POLB | |
| Bromide SCHEMBL27949879 | 0.72 | CYP19A1 (0.97) | CYP19A1CYP11B1CYP11B2TBXAS1POLB | |
| Bromide SCHEMBL27949880 | 0.72 | CYP19A1 (0.97) | CYP19A1CYP11B1CYP11B2TBXAS1POLB | |
| SCHEMBL11007152 | 0.71 | CYP19A1 (0.72) | CYP19A1CYP11B1CYP11B2TBXAS1 | |
| SCHEMBL7740339 | 0.71 | CYP11B1 (0.46) | CYP19A1CYP11B1CYP11B2TBXAS1POLB | |
| Hydrochloric Acid SCHEMBL11262952 | 0.70 | CYP19A1 (0.55) | CYP19A1CYP11B1CYP11B2TBXAS1IDO1 | |
| SCHEMBL11247208 | 0.70 | CYP19A1 (0.61) | CYP19A1POLB |
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 |