Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR3 | P51677 | 10/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | CCR5 | P51681 | 2/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
| ▸ | ACACA | Q13085 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 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 | |
|---|---|---|---|---|
| SCHEMBL3314680 | 1.00 | CCR3 (0.41) | CCR3HRH3CCR5ACACBACACA | |
| SCHEMBL3284870 | 0.90 | CCR5 (0.41) | CCR3CCR5ACACBACACASMN1; SMN2 | |
| SCHEMBL3285188 | 0.90 | CCR5 (0.41) | CCR3CCR5ACACBACACASMN1; SMN2 | |
| SCHEMBL4718312 | 0.88 | CCR5 (0.39) | CCR3HRH3CCR5ACACBACACA | |
| SCHEMBL4717841 | 0.88 | CCR5 (0.39) | CCR3HRH3CCR5ACACBACACA | |
| SCHEMBL5250813 | 0.88 | CCR3 (0.38) | CCR3HRH3CCR5ACACBACACA | |
| SCHEMBL3278543 | 0.85 | GAA (0.41) | CCR3CCR5ACACBACACASMN1; SMN2 | |
| SCHEMBL3311181 | 0.84 | CCR5 (0.36) | CCR3HRH3CCR5ACACBACACA | |
| SCHEMBL4717935 | 0.84 | CCR5 (0.36) | CCR3HRH3CCR5ACACBACACA | |
| SCHEMBL3279563 | 0.83 | ACACB (0.38) | HRH3CCR5ACACBACACASMN1; SMN2 |
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-1558600-B1 | SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT | BOEHRINGER INGELHEIM PHARMA (DE) | 2008-05-07 | — | — | EP | claimed |