Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | HMBS | P08397 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.39 |
| ▸ | ACP3 | P15309 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | MLKL | Q8NB16 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28975482 | 0.81 | FKBP5 (0.43) | ACHETSHRLMNAALOX12HMBS | |
| M-Xylene SCHEMBL1419772 | 0.78 | ACHE (0.57) | ACHEHMBSNPSR1CYP3A4ALDH1A1 | |
| SCHEMBL23253259 | 0.72 | ACHE (0.50) | ACHETSHRLMNAALOX12HMBS | |
| Toluene SCHEMBL10862849 | 0.71 | — | — | |
| Toluene SCHEMBL7180595 | 0.70 | ACHE (0.65) | ACHETSHRLMNAALOX12NPSR1 | |
| SCHEMBL47202 | 0.69 | — | — | |
| M-Xylene SCHEMBL8641735 | 0.69 | ACHE (0.80) | ACHETSHRLMNAALOX12NPSR1 | |
| SCHEMBL22310958 | 0.68 | ACP3 (0.53) | ACHETSHRLMNAALOX12NPSR1 | |
| M-Xylene SCHEMBL8135461 | 0.68 | ACHE (0.92) | ACHETSHRLMNAALOX12NPSR1 | |
| Toluene SCHEMBL175861 | 0.67 | ACHE (1.00) | ACHETSHRLMNAALOX12NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3318557-A2 | QUINOLONE COMPOUND | Otsuka Pharmaceutical Co., Ltd. (JP) | 2018-05-09 | — | — | EP | disclosed |