Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 3/20 | 0.39 |
| ▸ | CCR3 | P51677 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 6/20 | 0.37 |
| ▸ | ACACA | Q13085 | 6/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | L3MBTL3 | Q96JM7 | 5/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL4717841 | 1.00 | CCR5 (0.39) | CCR5CCR3ACACBACACAGAA | |
| SCHEMBL3284870 | 0.90 | CCR5 (0.41) | CCR5CCR3ACACBACACAGAA | |
| SCHEMBL3285188 | 0.90 | CCR5 (0.41) | CCR5CCR3ACACBACACAGAA | |
| SCHEMBL4717860 | 0.89 | ALDH1A1 (0.39) | ALOX12CHRNA3MAPTALDH1A1POLB | |
| SCHEMBL4722465 | 0.88 | CCR3 (0.41) | CCR5CCR3ACACBACACAGAA | |
| SCHEMBL3314680 | 0.88 | CCR3 (0.41) | CCR5CCR3ACACBACACAGAA | |
| SCHEMBL4717935 | 0.86 | CCR5 (0.36) | CCR5CCR3ACACBACACAGAA | |
| SCHEMBL3311181 | 0.86 | CCR5 (0.36) | CCR5CCR3ACACBACACAGAA | |
| SCHEMBL3278543 | 0.85 | GAA (0.41) | CCR5CCR3ACACBACACAGAA | |
| SCHEMBL3279563 | 0.83 | ACACB (0.38) | CCR5ACACBACACAGAAALOX12 |
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 |