Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.41 |
| ▸ | TMPRSS2 | O15393 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | F10 | P00742 | 1/20 | 0.41 |
| ▸ | PLG | P00747 | 1/20 | 0.41 |
| ▸ | F12 | P00748 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | PLAT | P00750 | 1/20 | 0.41 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.41 |
| ▸ | HPN | P05981 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10418011 | 0.97 | ALDH1A1 (0.44) | ALDH1A1HPGDKMT2ACYP1A2CYP2D6 | |
| SCHEMBL10418094 | 0.96 | ALDH1A1 (0.46) | ALDH1A1HPGDKMT2ACYP1A2CYP2D6 | |
| SCHEMBL10417249 | 0.96 | ALDH1A1 (0.46) | ALDH1A1HPGDKMT2ACYP1A2CYP2D6 | |
| SCHEMBL10418697 | 0.93 | BCL9 (0.40) | ALDH1A1HPGDKMT2ACYP1A2CYP2D6 | |
| SCHEMBL10416801 | 0.89 | KMT2A (0.47) | ALDH1A1HPGDKMT2ACYP1A2CYP2D6 | |
| SCHEMBL10416714 | 0.88 | LMNA (0.50) | ALDH1A1HPGDKMT2ACYP1A2CYP2D6 | |
| SCHEMBL10416789 | 0.87 | ALDH1A1 (0.50) | ALDH1A1HPGDKMT2ACYP1A2CYP2D6 | |
| SCHEMBL10417240 | 0.87 | MAPT (0.43) | ALDH1A1HPGDKMT2ACYP1A2CYP2D6 | |
| SCHEMBL10418210 | 0.86 | MAPT (0.47) | ALDH1A1HPGDCYP1A2CYP2D6SMN1; SMN2 | |
| SCHEMBL10417111 | 0.86 | LMNA (0.54) | ALDH1A1HPGDKMT2ACYP1A2CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4925590-A | Derivatives of 4-cyano-2,3-difluorophenol | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1990-05-15 | — | — | US | disclosed |