Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | CYP3A5 | P20815 | 3/20 | 0.44 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | CFTR | P13569 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL10989469 | 0.82 | CYP19A1 (0.51) | CYP19A1ALDH1A1CYP3A4CYP3A5KDM4E | |
| SCHEMBL10559448 | 0.80 | ALDH1A1 (0.48) | CYP19A1ALDH1A1CYP3A4CYP3A5FFAR2 | |
| SCHEMBL10664321 | 0.80 | CYP19A1 (0.49) | CYP19A1ALDH1A1CYP3A4CYP3A5FFAR2 | |
| SCHEMBL10560203 | 0.77 | CYP19A1 (0.47) | CYP19A1ALDH1A1CYP3A4CYP3A5KDM4E | |
| SCHEMBL10984517 | 0.76 | GRM2 (0.47) | CYP19A1ALDH1A1KDM4ESLC6A2SLC6A4 | |
| SCHEMBL12089065 | 0.76 | CFTR (0.50) | CYP19A1ALDH1A1KDM4ESLC6A2SLC6A4 | |
| SCHEMBL6581568 | 0.76 | CFTR (0.50) | CYP19A1ALDH1A1KDM4ESLC6A2SLC6A4 | |
| SCHEMBL10986853 | 0.76 | ALDH1A1 (0.49) | CYP19A1ALDH1A1CYP3A4CYP3A5FFAR2 | |
| SCHEMBL10558324 | 0.76 | CYP3A4 (0.47) | CYP19A1ALDH1A1CYP3A4CYP3A5 | |
| SCHEMBL10957317 | 0.74 | CYP19A1 (0.43) | CYP19A1ALDH1A1CYP3A4CYP3A5FFAR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4552960-A | N,N-DISUBSTITUTED HETEROCYCLIC AMINES | ELI LILLY AND COMPANY (US) | 1985-11-12 | — | — | US | disclosed |
| EP-0129433-A2 | Amines as fungicidal agents | ELI LILLY AND COMPANY (US) | 1984-12-27 | — | — | EP | disclosed |