Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.34 |
| ▸ | IMPDH1 | P20839 | 2/20 | 0.34 |
| ▸ | DPYD | Q12882 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.32 |
| ▸ | HAVCR2 | Q8TDQ0 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | DRD4 | P21917 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9538555 | 0.77 | HMBS (0.41) | ALDH1A1HPGDMAPTAPOBEC3GKDM4E | |
| SCHEMBL21333260 | 0.74 | MCL1 (0.55) | ALDH1A1HPGDKDM4EDPYDMCL1 | |
| SCHEMBL8646977 | 0.69 | ALDH1A1 (0.37) | ALDH1A1HPGDMAPTAPOBEC3GKDM4E | |
| SCHEMBL10963619 | 0.67 | CYP19A1 (0.41) | ALDH1A1HPGDMAPTKDM4EALOX15 | |
| SCHEMBL1779488 | 0.67 | — | — | |
| SCHEMBL275888 | 0.67 | — | — | |
| SCHEMBL24035534 | 0.65 | — | — | |
| SCHEMBL5173532 | 0.65 | — | — | |
| SCHEMBL17399885 | 0.65 | — | — | |
| SCHEMBL4397408 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8304412-B2 | Cyclically substituted 3,5-dicyano-2-thiopyridines and use thereof | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2012-11-06 | — | — | US | disclosed |
| EP-2099788-A1 | CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF | Bayer Schering Pharma Aktiengesellschaft (DE) | 2009-09-16 | — | — | EP | disclosed |
| WO-2008064788-A1 | CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-06-05 | — | — | WO | disclosed |