Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SNCA | P37840 | 1/20 | 0.36 |
| ▸ | ALPL | P05186 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | PNMT | P11086 | 1/20 | 0.35 |
| ▸ | BAZ1A | Q9NRL2 | 1/20 | 0.35 |
| ▸ | MAT2A | P31153 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 6/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | METAP1 | P53582 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 5/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 5/20 | 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 | |
|---|---|---|---|---|
| Quinoline SCHEMBL27721275 | 0.89 | ALDH1A1 (0.45) | ALDH1A1SNCAADRA2APNMTBAZ1A | |
| Tert-Butyl Formate SCHEMBL27760484 | 0.87 | PNMT (0.45) | ALDH1A1ADRA2APNMTMAPTNPC1 | |
| Quinoline SCHEMBL27822262 | 0.82 | PGR (0.39) | ALDH1A1SNCAALPLBAZ1AMAT2A | |
| Quinoline SCHEMBL27554403 | 0.80 | ALDH1A1 (0.45) | ALDH1A1SNCAADRA2APNMTBAZ1A | |
| Quinoline SCHEMBL28789814 | 0.77 | MAPT (0.37) | ALDH1A1SNCAALPLBAZ1AMAT2A | |
| Acetaldehyde SCHEMBL27778138 | 0.75 | PNMT (0.51) | ALDH1A1ADRA2APNMTMAPTNPC1 | |
| Quinoline SCHEMBL27554339 | 0.75 | ALDH1A1 (0.59) | ALDH1A1MAPTNPC1RAB9AHTT | |
| Quinoline SCHEMBL28101672 | 0.74 | BAZ1A (0.38) | ALDH1A1SNCAALPLADRA2APNMT | |
| SCHEMBL27856412 | 0.74 | ALDH1A1 (0.52) | ALDH1A1MAPTNPC1RAB9AMAPK1 | |
| SCHEMBL31378863 | 0.73 | PNMT (0.58) | ALDH1A1ADRA2APNMTMAPTNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105073741-A | Phthalazinones and isoquinolinones as rock inhibitors | BRISTOL MYERS SQUIBB CO | 2015-11-18 | — | — | CN | disclosed |