Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | HTR6 | P50406 | 4/20 | 0.48 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.47 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | IKBKB | O14920 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8867307 | 0.90 | NR3C1 (0.50) | ALDH1A1SMN1; SMN2NR3C1POLBKEAP1 | |
| SCHEMBL3560306 | 0.86 | IKBKB (0.58) | ALDH1A1SMN1; SMN2NR3C1POLBKEAP1 | |
| SCHEMBL10513396 | 0.85 | PTPN1 (0.62) | ALDH1A1HTR6CYP4F2CYP4A11PTPN1 | |
| SCHEMBL6840091 | 0.85 | NR3C1 (0.54) | ALDH1A1SMN1; SMN2NR3C1POLBKEAP1 | |
| SCHEMBL4370201 | 0.83 | HTR6 (0.66) | ALDH1A1SMN1; SMN2NR3C1POLBKEAP1 | |
| SCHEMBL6500179 | 0.83 | FABP4 (0.57) | ALDH1A1SMN1; SMN2NR3C1POLBKEAP1 | |
| SCHEMBL1414024 | 0.83 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2NR3C1POLBKEAP1 | |
| SCHEMBL8867295 | 0.82 | NR3C1 (0.51) | ALDH1A1SMN1; SMN2NR3C1POLBKEAP1 | |
| SCHEMBL7902370 | 0.81 | PTGS1 (0.59) | ALDH1A1SMN1; SMN2NR3C1POLBKEAP1 | |
| SCHEMBL5262193 | 0.81 | NR3C1 (0.56) | ALDH1A1SMN1; SMN2NR3C1POLBKEAP1 |
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 |