Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR6 | P51684 | 1/20 | 0.71 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.61 |
| ▸ | DRD2 | P14416 | 1/20 | 0.61 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.60 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | BRD4 | O60885 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.53 |
| ▸ | MGLL | Q99685 | 1/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.53 |
| ▸ | CDK1 | P06493 | 1/20 | 0.51 |
| ▸ | CDK4 | P11802 | 1/20 | 0.51 |
| ▸ | CCND1 | P24385 | 1/20 | 0.51 |
| ▸ | CDK2 | P24941 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL11015236 | 0.88 | CHRM2 (0.64) | CCR6CHRM1DRD2CHRM2CHRM5 | |
| SCHEMBL9377960 | 0.86 | CCR6 (0.58) | CCR6CHRM1DRD2CHRM2CHRM5 | |
| SCHEMBL10843467 | 0.83 | KDM4E (0.60) | CCR6CHRM2CHRM5MEN1KMT2A | |
| SCHEMBL16285312 | 0.79 | ALDH1A1 (0.54) | CCR6KMT2AALDH1A1HSD11B1MGLL | |
| SCHEMBL5494970 | 0.78 | MGLL (0.60) | CCR6CHRM2MEN1KMT2AKDM4E | |
| SCHEMBL728684 | 0.78 | NPC1 (0.50) | MEN1KMT2AALDH1A1HSD11B1MGLL | |
| SCHEMBL13392490 | 0.77 | NOS2 (0.62) | CCR6MEN1KMT2AKDM4EBRD4 | |
| SCHEMBL10963786 | 0.77 | MEN1 (0.68) | CHRM2MEN1KMT2AGAAALDH1A1 | |
| SCHEMBL11006675 | 0.77 | ALDH1A1 (0.64) | CCR6CHRM1CHRM2CHRM5MEN1 | |
| SCHEMBL28032930 | 0.76 | ALDH1A1 (0.59) | CCR6MEN1KMT2AKDM4EBRD4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4522945-A | SEROTONINE ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 1985-06-11 | — | — | US | disclosed |
| EP-0037265-B1 | 3-(1-PIPERIDINYLALKYL)-4H-PYRIDO(1,2-A)PYRIMIDIN-4-ONE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1985-01-23 | — | — | EP | disclosed |
| US-4342870-A | SEROTONIN ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 1982-08-03 | — | — | US | disclosed |
| US-4335127-A | POTENT SEROTONIN ANTAGONISTS | JANSSEN PHARMACEUTICA, N.V. (BE) | 1982-06-15 | — | — | US | disclosed |
| EP-0037265-A1 | 3-(1-piperidinylalkyl)-4H-pyrido(1,2-a)pyrimidin-4-one derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 1981-10-07 | — | — | EP | disclosed |
| EP-0013612-A2 | (Piperidinylalkyl)quinazoline derivatives, process for their preparation and pharmaceutical compositions containing them | JANSSEN PHARMACEUTICA N.V. (BE) | 1980-07-23 | — | — | EP | disclosed |