Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.42 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.40 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.38 |
| ▸ | ABAT | P80404 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | TYR | P14679 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7231339 | 0.84 | CYP2A6 (0.44) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| SCHEMBL15246781 | 0.78 | RIPK1 (0.46) | HDAC3HDAC6HDAC11HDAC8KMT2A | |
| SCHEMBL5655809 | 0.77 | ALDH1A1 (0.52) | ALDH1A1LMNAMAPTSMN1; SMN2MMP3 | |
| SCHEMBL13480470 | 0.77 | CYP2A6 (0.48) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| SCHEMBL4068031 | 0.77 | NR1H3 (0.57) | ALDH1A1LMNAMAPTHPGDNR1H3 | |
| SCHEMBL470309 | 0.77 | HRH3 (0.56) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| SCHEMBL7129567 | 0.75 | MMP3 (0.60) | ALDH1A1LMNAMMP3NR1H3MEN1 | |
| Hydrochloric Acid SCHEMBL5778800 | 0.75 | HRH3 (0.54) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| SCHEMBL1935709 | 0.74 | RAB9A (0.47) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| SCHEMBL3565963 | 0.73 | ALDH1A1 (0.64) | ALDH1A1LMNAMAPTHPGDNR1H3 |
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-2588454-A1 | SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF | Bayer Intellectual Property GmbH (DE) | 2013-05-08 | — | — | EP | disclosed |
| WO-2012000945-A1 | SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-01-05 | — | — | WO | disclosed |