Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 4/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.36 |
| ▸ | DPP4 | P27487 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | OTUD7B | Q6GQQ9 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13825670 | 0.71 | BRD4 (0.36) | HTR1AADRA1BMEN1KMT2A | |
| SCHEMBL18723631 | 0.67 | LTA4H (0.39) | DPP4ALDH1A1MAPTHSD17B10L3MBTL1 | |
| SCHEMBL18723664 | 0.63 | MGLL (0.40) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL24384272 | 0.62 | DDB1 (0.40) | — | |
| SCHEMBL14396985 | 0.62 | DDB1 (0.40) | — | |
| SCHEMBL20608017 | 0.61 | OTUD7B (0.39) | DPP4OTUD7B | |
| SCHEMBL24364391 | 0.61 | PRCP (0.38) | — | |
| SCHEMBL8765712 | 0.61 | GRIN1 (0.59) | ALDH1A1MAPTHSD17B10L3MBTL1HTR1A | |
| SCHEMBL18601881 | 0.60 | DDB1 (0.35) | — | |
| SCHEMBL18723497 | 0.59 | KMT2A (0.37) | DPP4MEN1KMT2A |
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-2522664-A1 | Piperidine derivatives as NK1 antagonists | OPKO Health, Inc. (US) | 2012-11-14 | — | — | EP | disclosed |