Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | GRK2 | P25098 | 8/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 7/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | RAF1 | P04049 | 2/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | PRKCA | P17252 | 3/20 | 0.34 |
| ▸ | RHEB | Q15382 | 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 | |
|---|---|---|---|---|
| SCHEMBL10691420 | 0.81 | TP53 (0.40) | CYP1A2MAPTSMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL10692353 | 0.75 | NPC1 (0.42) | CYP1A2TSHRGRK2ROCK2NPC1 | |
| SCHEMBL10373141 | 0.69 | CYP1A2 (0.52) | CYP1A2TSHRGRK2ROCK2NPC1 | |
| SCHEMBL10687930 | 0.68 | ROCK2 (0.41) | CYP1A2TSHRGRK2ROCK2GAA | |
| SCHEMBL10692342 | 0.67 | NPC1 (0.37) | CYP1A2TSHRGRK2ROCK2PIM1 | |
| SCHEMBL4454948 | 0.66 | KLK1 (0.63) | CYP1A2TSHRGRK2ROCK2NPC1 | |
| Hydrochloric Acid SCHEMBL10689236 | 0.66 | NPC1 (0.36) | CYP1A2TSHRGRK2ROCK2PIM1 | |
| Hydrochloric Acid SCHEMBL10508401 | 0.65 | HSD17B10 (0.61) | CYP1A2TSHRGRK2ROCK2NPC1 | |
| Hydrochloric Acid SCHEMBL10509797 | 0.65 | RHEB (0.51) | CYP1A2TSHRGRK2ROCK2GAA | |
| Hydrochloric Acid SCHEMBL10692572 | 0.65 | WNT1 (0.47) | GAAHDAC1RAF1DYRK1AMAPK13 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0252507-A1 | 2-(4-Pyridylaminomethyl)-benzimidazole derivatives having antiviral activity | Maruishi Seiyaku Kabushiki Kaisha (JP) | 1988-01-13 | — | — | EP | disclosed |