Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 6/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8879951 | 0.88 | SMN1; SMN2 (0.49) | ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2 | |
| SCHEMBL23930619 | 0.84 | GSK3B (0.46) | ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2 | |
| SCHEMBL6843818 | 0.81 | TP53 (0.44) | SMN1; SMN2MAPTNPC1HTTRAB9A | |
| SCHEMBL10999510 | 0.80 | RAB9A (0.51) | SMN1; SMN2MAPTL3MBTL1NPC1RAB9A | |
| SCHEMBL15559606 | 0.77 | GAA (0.51) | ADORA1ADORA3ADORA2ASMN1; SMN2MAPT | |
| SCHEMBL23930520 | 0.73 | CLK1 (0.41) | SMN1; SMN2MAPTNPC1RAB9AMEN1 | |
| SCHEMBL14241145 | 0.71 | MAPT (0.54) | ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2 | |
| SCHEMBL9085504 | 0.70 | ADORA1 (0.39) | ADORA1ADORA2ASMN1; SMN2MAPTNPC1 | |
| SCHEMBL27688659 | 0.70 | HDAC6 (0.57) | ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2 | |
| SCHEMBL8878334 | 0.69 | SMN1; SMN2 (0.65) | ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1040105-C | Aminoketone derivatives and use thereof | MITZUI TOATSU CHEMICALS INC (JP) | 1998-10-07 | — | — | CN | disclosed |
| 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 |
| CN-1049660-A | Aminoketone derivative and application thereof | MITZUI TOATSU CHEMICALS INC (JP) | 1991-03-06 | — | — | CN | disclosed |
| EP-0414391-A2 | Aminoketone derivatives and use thereof | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1991-02-27 | — | — | EP | disclosed |