Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.47 |
| ▸ | SORD | Q00796 | 4/20 | 0.44 |
| ▸ | ACACB | O00763 | 2/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 8/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.41 |
| ▸ | OGA | O60502 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | GBA1 | P04062 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27325666 | 0.86 | HRH3 (0.56) | SORDACACBHRH4HRH3HTR2C | |
| SCHEMBL20000601 | 0.85 | CXCR4 (0.46) | CXCR4SORDACACBHRH4HRH3 | |
| SCHEMBL20000586 | 0.80 | ACACB (0.45) | CXCR4SORDACACBHRH4HRH3 | |
| SCHEMBL20098856 | 0.76 | SORD (0.59) | CXCR4SORDHRH4HRH3 | |
| SCHEMBL13425419 | 0.75 | CRHBP (0.53) | GBA1USP2ALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL14554003 | 0.75 | SORD (0.54) | CXCR4SORDHRH4 | |
| SCHEMBL15121155 | 0.75 | SORD (0.57) | CXCR4SORDHRH4HRH3 | |
| SCHEMBL9073284 | 0.74 | CASP1 (0.58) | HRH4HRH3HTR2CUSP2ALDH1A1 | |
| SCHEMBL2982745 | 0.74 | L3MBTL1 (0.40) | HRH4CYP1A2CASP1 | |
| SCHEMBL20000587 | 0.74 | ACACB (0.46) | CXCR4SORDACACBHRH4HRH3 |
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-2997024-B1 | PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2018-03-28 | — | — | EP | disclosed |