Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 5/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL837419 | 0.82 | CYP19A1 (0.44) | CYP19A1MEN1KMT2ALMNATP53 | |
| SCHEMBL10761080 | 0.81 | CYP19A1 (0.45) | CYP19A1LMNACYP3A4HPGD | |
| SCHEMBL10648511 | 0.79 | CYP19A1 (0.40) | CYP19A1MEN1KMT2ALMNATP53 | |
| SCHEMBL10756952 | 0.79 | CYP19A1 (0.43) | CYP19A1MEN1KMT2ALMNATP53 | |
| SCHEMBL10691312 | 0.77 | CYP19A1 (0.46) | CYP19A1MEN1KMT2ALMNATP53 | |
| SCHEMBL10686200 | 0.75 | CYP19A1 (0.47) | CYP19A1MEN1KMT2ALMNATP53 | |
| SCHEMBL10684033 | 0.74 | CYP19A1 (0.46) | CYP19A1MEN1KMT2ALMNATP53 | |
| SCHEMBL11096674 | 0.73 | IDO1 (0.45) | CYP19A1MEN1KMT2ALMNAPOLB | |
| SCHEMBL10645409 | 0.73 | CYP19A1 (0.44) | CYP19A1LMNAKDM4ECYP3A4 | |
| SCHEMBL10686082 | 0.72 | CYP19A1 (0.44) | CYP19A1MEN1KMT2ALMNATP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0137456-B1 | DERIVATIVES OF PYRIDINE, PYRAZINE AND PYRIMIDINE AND THEIR USE AS FUNGICIDAL AGENTS | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1988-02-10 | — | — | EP | disclosed |
| US-4678790-A | AGRICULTURE HORTICULTURE | HOFFMAN-LA ROCHE INC. (US) | 1987-07-07 | — | — | US | disclosed |