Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 2/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.35 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.35 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL7851156 | 0.81 | TACR1 (0.39) | RIPK1TACR1HCAR2ADRA2BCHRM2 | |
| SCHEMBL16886248 | 0.81 | RIPK1 (0.35) | RIPK1TACR1HCAR2ADRA2BCACNA1F | |
| SCHEMBL11966010 | 0.79 | RIPK1 (0.42) | RIPK1HCAR2ADRA2BCACNA1FCHRM2 | |
| SCHEMBL22959697 | 0.79 | RIPK1 (0.42) | RIPK1HCAR2ADRA2BCACNA1FCHRM2 | |
| SCHEMBL9502842 | 0.79 | RIPK1 (0.42) | RIPK1HCAR2ADRA2BCACNA1FCHRM2 | |
| SCHEMBL24434579 | 0.75 | RIPK1 (0.44) | RIPK1HCAR2ADRA2BCACNA1FCHRM2 | |
| SCHEMBL20002749 | 0.73 | SCN1A (0.34) | SCN5A | |
| SCHEMBL7182617 | 0.71 | ALDH1A1 (0.41) | RIPK1HCAR2ADRA2BCACNA1FCHRM2 | |
| SCHEMBL3430967 | 0.69 | IDO1 (0.39) | SLC6A3SLC6A4MEN1KMT2APDE2A | |
| SCHEMBL16672607 | 0.69 | HCAR2 (0.49) | HCAR2MEN1KMT2AATML3MBTL1 |
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-3092229-B1 | PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2018-03-28 | — | — | EP | disclosed |