Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CCR9 | P51686 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | SCN1A | P35498 | 1/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.34 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ALPL | P05186 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10918070 | 0.85 | CYP19A1 (0.37) | CYP19A1CCR9MEN1KMT2APTGS1 | |
| SCHEMBL10686082 | 0.85 | CYP19A1 (0.44) | CYP19A1CCR9MEN1KMT2APOLB | |
| SCHEMBL9592322 | 0.83 | CYP19A1 (0.42) | CYP19A1ALPLLMNA | |
| SCHEMBL10686200 | 0.79 | CYP19A1 (0.47) | CYP19A1CCR9MEN1KMT2APOLB | |
| SCHEMBL11096674 | 0.79 | IDO1 (0.45) | CYP19A1MEN1KMT2APOLBKDM4E | |
| SCHEMBL10684033 | 0.78 | CYP19A1 (0.46) | CYP19A1CCR9MEN1KMT2APOLB | |
| SCHEMBL10691312 | 0.78 | CYP19A1 (0.46) | CYP19A1CCR9MEN1KMT2APOLB | |
| SCHEMBL10681522 | 0.76 | CYP19A1 (0.44) | CYP19A1CCR9MEN1KMT2APOLB | |
| SCHEMBL9592973 | 0.71 | CYP19A1 (0.37) | CYP19A1ALPL | |
| SCHEMBL10756952 | 0.70 | CYP19A1 (0.43) | CYP19A1CCR9MEN1KMT2APOLB |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0074018-B1 | PYRIDINE AND PYRAZINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THESE COMPOUNDS, FUNGICIDES CONTAINING THESE COMPOUNDS AS ACTIVE SUBSTANCES, USE OF THESE COMPOUNDS OR FUNGICIDES TO COMBAT FUNGI IN AGRICULTURE AND IN HORTICULTURE, AND KETONES AND FUNGICIDES CONTAINING THEM | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1986-09-24 | — | — | EP | claimed |
| EP-0074018-A2 | Pyridine and pyrazine derivatives, process for the preparation of these compounds, fungicides containing these compounds as active substances, use of these compounds or fungicides to combat fungi in agriculture and in horticulture, and ketones and fungicides containing them | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1983-03-16 | — | — | EP | claimed |
| US-4753947-A | Certain fungicidal alphabenzyl-3-pyridylmethanol, the corresponding chloro derivatives thereof or the N-oxides thereof | HOFFMANN-LA ROCHE INC. (US) | 1988-06-28 | — | — | US | disclosed |
| EP-0074018-B1 | PYRIDINE AND PYRAZINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THESE COMPOUNDS, FUNGICIDES CONTAINING THESE COMPOUNDS AS ACTIVE SUBSTANCES, USE OF THESE COMPOUNDS OR FUNGICIDES TO COMBAT FUNGI IN AGRICULTURE AND IN HORTICULTURE, AND KETONES AND FUNGICIDES CONTAINING THEM | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1986-09-24 | — | — | EP | disclosed |
| US-4556661-A | FUNGICIDES | HOFFMANN-LA ROCHE INC. (US) | 1985-12-03 | — | — | US | disclosed |
| EP-0074018-A2 | Pyridine and pyrazine derivatives, process for the preparation of these compounds, fungicides containing these compounds as active substances, use of these compounds or fungicides to combat fungi in agriculture and in horticulture, and ketones and fungicides containing them | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1983-03-16 | — | — | EP | disclosed |