Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 5/20 | 0.38 |
| ▸ | KCND3 | Q9UK17 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11092434 | 0.83 | IDO1 (0.44) | KCNA5KCND3CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL11123644 | 0.82 | CYP3A4 (0.41) | KCNA5KCND3CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL10688688 | 0.80 | CYP3A4 (0.44) | KCNA5KCND3CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL10687183 | 0.76 | KCNA5 (0.45) | KCNA5KCND3CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL6199987 | 0.75 | RAB9A (0.43) | HDAC8NPC1RAB9ALMNAALDH1A1 | |
| SCHEMBL11121787 | 0.75 | MAPT (0.40) | TSHRKCNA5CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL11098794 | 0.74 | RORC (0.42) | CYP3A4CYP19A1HDAC8RORCNPC1 | |
| SCHEMBL10686846 | 0.74 | KCNA5 (0.45) | KCNA5KCND3CYP3A4SLC6A4SLC6A3 | |
| SCHEMBL10967991 | 0.73 | SMN1; SMN2 (0.53) | TSHRKCNA5KCND3CYP3A4SLC6A2 | |
| SCHEMBL10686842 | 0.71 | KCNA5 (0.43) | KCNA5KCND3CYP3A4SLC6A4SLC6A3 |
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 |