Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.47 |
| ▸ | FAAH | O00519 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | CCR3 | P51677 | 1/20 | 0.45 |
| ▸ | SCN1A | P35498 | 5/20 | 0.44 |
| ▸ | SCN8A | Q9UQD0 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8792841 | 0.96 | ACHE (0.49) | ACHEFAAHMAPK1NPSR1CCR3 | |
| SCHEMBL8791942 | 0.78 | ACHE (0.50) | ACHEFAAHMAPK1NPSR1CCR3 | |
| SCHEMBL8406779 | 0.75 | SCN1A (0.49) | ACHEFAAHMAPK1NPSR1SCN1A | |
| SCHEMBL1136265 | 0.75 | HTT (0.56) | NPSR1MAPTRAB9AALDH1A1HTT | |
| SCHEMBL8409979 | 0.73 | GMNN (0.50) | ACHECCR3SCN1ASCN8ABACE1 | |
| SCHEMBL3288703 | 0.73 | MAPK1 (0.78) | ACHEFAAHMAPK1NPSR1MAPT | |
| SCHEMBL8409521 | 0.72 | DRD2 (0.61) | ACHEMAPK1NPSR1MAPTSIGMAR1 | |
| SCHEMBL8409472 | 0.72 | MAPK1 (0.49) | ACHEMAPK1NPSR1SCN1ASCN8A | |
| SCHEMBL1869809 | 0.72 | CHRM2 (0.64) | ACHEMAPK1MAPTSIGMAR1PKM | |
| SCHEMBL8791981 | 0.72 | MAPK1 (0.45) | ACHEFAAHMAPK1NPSR1MAPT |
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-0797576-A1 | ALKYL SUBSTITUTED PIPERADINYL AND PIPERAZINYL ANTI-AIDS COMPOUNDS | PHARMACIA & UPJOHN COMPANY (US) | 1997-10-01 | — | — | EP | disclosed |