Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 4/20 | 0.43 |
| ▸ | HRH1 | P35367 | 4/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL8096616 | 0.80 | AOC3 (0.58) | HTR2AHRH1AOC3TDP1TAAR1 | |
| SCHEMBL13948770 | 0.79 | CCR5 (0.47) | CCR5HTR2AHRH1TDP1SIGMAR1 | |
| SCHEMBL21739939 | 0.77 | HTR2A (0.61) | CCR5HTR2AHRH1AOC3TDP1 | |
| SCHEMBL21739938 | 0.77 | HTR2A (0.61) | CCR5HTR2AHRH1AOC3TDP1 | |
| SCHEMBL3428926 | 0.77 | HTR2A (0.61) | CCR5HTR2AHRH1AOC3TDP1 | |
| SCHEMBL13995351 | 0.77 | AOC3 (0.59) | HTR2AHRH1AOC3LMNATAAR1 | |
| SCHEMBL3068671 | 0.77 | HRH1 (0.62) | HTR2AHRH1AOC3TDP1SIGMAR1 | |
| SCHEMBL23138901 | 0.74 | HTR2A (0.64) | CCR5HTR2AHRH1TDP1SIGMAR1 | |
| SCHEMBL22426629 | 0.74 | CCR5 (0.44) | CCR5HTR2AHRH1AOC3TDP1 | |
| SCHEMBL12300267 | 0.74 | HTR2A (0.64) | CCR5HTR2AHRH1TDP1SIGMAR1 |
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-1255738-B1 | GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES INC (US) | 2012-03-07 | — | — | EP | disclosed |