Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | PAK4 | O96013 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 4/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | VNN1 | O95497 | 1/20 | 0.32 |
| ▸ | GRK2 | P25098 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6565285 | 0.86 | NPC1 (0.49) | NPC1RAB9APAK4BRAFHDAC1 | |
| SCHEMBL6562060 | 0.81 | PLA2G7 (0.39) | LRRK2EGLN1GRM5NOS3NOS1 | |
| SCHEMBL6565363 | 0.79 | GAA (0.41) | LRRK2KMT2AEGLN1MAPT | |
| SCHEMBL6563213 | 0.79 | KMT2A (0.39) | NPC1RAB9ALRRK2KMT2AEGLN1 | |
| SCHEMBL6563293 | 0.75 | CYP19A1 (0.43) | LRRK2GRM5NOS3NOS1NOS2 | |
| SCHEMBL7678064 | 0.74 | KLK1 (0.49) | NPC1RAB9ABRAFHDAC1EGLN1 | |
| SCHEMBL17065514 | 0.72 | GRK2 (0.47) | NPC1RAB9APAK4KMT2ABRAF | |
| SCHEMBL6563651 | 0.72 | MAPK13 (0.45) | NPC1RAB9AKMT2AEGLN1 | |
| SCHEMBL6563737 | 0.70 | EGLN1 (0.45) | RAB9AKMT2AEGLN1GRM5 | |
| SCHEMBL6561978 | 0.70 | PLA2G7 (0.39) | EGLN1 |
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-1140802-A1 | SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES | BOEHRINGER INGELHEIM KG (DE) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000035859-A1 | SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-06-22 | — | — | WO | disclosed |