Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 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 | |
|---|---|---|---|---|
| SCHEMBL8879575 | 0.76 | SMN1; SMN2 (0.53) | NPC1RAB9AKMT2APOLBALDH1A1 | |
| SCHEMBL8880392 | 0.75 | HRH3 (0.44) | PKMNPC1RAB9AHTTALDH1A1 | |
| SCHEMBL8878557 | 0.74 | PKM (0.36) | PKMNPC1RAB9AALOX5KMT2A | |
| Hydrochloric Acid SCHEMBL8890430 | 0.74 | ALDH1A1 (0.46) | PKMNPC1RAB9AHTTALDH1A1 | |
| SCHEMBL8879976 | 0.72 | PPARA (0.41) | NPC1RAB9APOLBALDH1A1 | |
| SCHEMBL10072233 | 0.69 | HCAR2 (0.64) | NPC1RAB9AKMT2APOLBMAPT | |
| SCHEMBL953093 | 0.69 | HPGD (0.53) | NPC1RAB9APOLBMAPTHTT | |
| SCHEMBL903315 | 0.66 | CHRM2 (0.58) | PKMNPC1RAB9AALOX5KMT2A | |
| SCHEMBL8973362 | 0.64 | CHRM2 (0.52) | NPC1ALOX5KMT2APOLBMAPT | |
| SCHEMBL568129 | 0.64 | CHRNA4 (0.43) | NPC1RAB9AKMT2APOLBALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5602160-A | MUSCLE RELAXANT | MITSUI TOATSU CHEMICALS INCORPORATED (JP) | 1997-02-11 | — | — | US | disclosed |
| US-5498619-A | MUSCLE RELAXANTS, POLLAKIUREA CURING AGENTS AND MUSCLE SPASMS | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1996-03-12 | — | — | US | disclosed |
| EP-0414391-B1 | Aminoketone derivatives and use thereof | MITSUI TOATSU CHEMICALS (JP) | 1995-03-15 | — | — | EP | disclosed |
| US-5338857-A | Muscle relaxant | MITSUI TOATSU CHEMICALS INCORPORATED (JP) | 1994-08-16 | — | — | US | disclosed |
| EP-0414391-A2 | Aminoketone derivatives and use thereof | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1991-02-27 | — | — | EP | disclosed |