Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 6/20 | 0.37 |
| ▸ | NPC1 | O15118 | 5/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2530338 | 0.85 | HCAR2 (0.53) | PPARAPOLBRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL2528074 | 0.84 | PPARA (0.40) | PPARAPOLBRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL5966730 | 0.81 | SMN1; SMN2 (0.41) | PPARAPOLBRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL8879575 | 0.76 | SMN1; SMN2 (0.53) | PPARAPOLBRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL5285680 | 0.75 | PPARA (0.52) | PPARAPOLBALDH1A1TSHRHCAR2 | |
| SCHEMBL5298423 | 0.75 | PPARA (0.35) | PPARAPOLBRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL10072233 | 0.75 | HCAR2 (0.64) | POLBRAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL568129 | 0.73 | CHRNA4 (0.43) | POLBRAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL27864778 | 0.73 | POLB (0.39) | POLBRAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL7500491 | 0.73 | PPARA (0.61) | PPARAALDH1A1HCAR2 |
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 |