Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | KCND3 | Q9UK17 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | FDPS | P14324 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11123644 | 0.94 | CYP3A4 (0.41) | IDO1POLBHDAC8KCNA5CYP3A4 | |
| SCHEMBL10688688 | 0.85 | CYP3A4 (0.44) | IDO1KCNA5CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL11121787 | 0.84 | MAPT (0.40) | POLBKCNA5CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL11094878 | 0.83 | TSHR (0.41) | IDO1HDAC8KCNA5CYP3A4CYP2D6 | |
| SCHEMBL10687183 | 0.81 | KCNA5 (0.45) | IDO1KCNA5CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL10686846 | 0.78 | KCNA5 (0.45) | KCNA5CYP3A4SLC6A4SLC6A3CYP19A1 | |
| SCHEMBL10967991 | 0.77 | SMN1; SMN2 (0.53) | IDO1KCNA5CYP3A4SLC6A2SLC6A4 | |
| SCHEMBL10686842 | 0.75 | KCNA5 (0.43) | KCNA5CYP3A4SLC6A4SLC6A3CYP19A1 | |
| SCHEMBL10692823 | 0.75 | KCNA5 (0.43) | IDO1KCNA5CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL10510427 | 0.74 | HDAC8 (0.49) | POLBHDAC8KCNA5CYP3A4CYP2D6 |
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-0117485-A2 | Pyridine, pyrazine and pyrimidine derivatives and their use as fungicides | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-09-05 | — | — | EP | claimed |
| EP-0117485-A2 | Pyridine, pyrazine and pyrimidine derivatives and their use as fungicides | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-09-05 | — | — | EP | disclosed |