Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | EGLN1 | Q9GZT9 | 4/20 | 0.37 |
| ▸ | ALKBH2 | Q6NS38 | 2/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.36 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | HPGDS | O60760 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.35 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3777154 | 0.86 | EGLN1 (0.51) | ALDH1A1PPARGMAPK10KMT2ANPSR1 | |
| SCHEMBL31517602 | 0.78 | ALDH1A1 (0.34) | ALDH1A1PPARGMAPK10KMT2ANPSR1 | |
| SCHEMBL19975395 | 0.77 | SCN9A (0.45) | ALDH1A1PPARGMAPK10KMT2ANPSR1 | |
| SCHEMBL30061281 | 0.75 | ALDH1A1 (0.40) | ALDH1A1PPARGMAPK10KMT2ANPSR1 | |
| SCHEMBL31412311 | 0.73 | ALKBH2 (0.47) | EGLN1ALKBH2MAP4K4HPGDSALKBH1 | |
| SCHEMBL2529820 | 0.73 | FFAR4 (0.39) | ALDH1A1PPARGMAPK10KMT2ANPSR1 | |
| SCHEMBL1983376 | 0.72 | AKR1C3 (0.39) | ALDH1A1PPARGMAPK10KMT2ANPSR1 | |
| SCHEMBL16547534 | 0.71 | TDO2 (0.39) | ALDH1A1PPARGMAPK10KMT2ANPSR1 | |
| SCHEMBL26388653 | 0.71 | TDP1 (0.34) | ALDH1A1PPARGMAPK10KMT2ANPSR1 | |
| SCHEMBL24221966 | 0.71 | GABRA1 (0.42) | ALDH1A1PPARGMAPK10KMT2ANPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016202756-A1 | SUBSTITUTED 2-(1H-PYRAZOL-1-YL)-1H-BENZIMIDAZOLE COMPOUNDS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-12-22 | — | — | WO | disclosed |