Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | ACP3 | P15309 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL12284775 | 0.82 | TSHR (0.39) | OPRK1TSHRTRPA1 | |
| SCHEMBL14998076 | 0.78 | FFAR1 (0.33) | TSHRTRPA1 | |
| SCHEMBL14998074 | 0.76 | FFAR1 (0.33) | TSHR | |
| SCHEMBL9655500 | 0.75 | CYP19A1 (0.43) | CYP19A1SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL15886149 | 0.73 | GAA (0.36) | SLC6A3CYP2D6KCNH2SLC6A4RIPK1 | |
| SCHEMBL12157361 | 0.73 | RIPK1 (0.49) | SLC6A2SLC6A3KCNH2SLC6A4RIPK1 | |
| SCHEMBL1538332 | 0.72 | CYP19A1 (0.54) | CYP19A1SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL14029042 | 0.72 | RIPK1 (0.40) | SLC6A2SLC6A3CYP2D6KCNH2SLC6A4 | |
| SCHEMBL13355355 | 0.71 | LTB4R (0.42) | HTR2A | |
| SCHEMBL14399341 | 0.70 | TRPA1 (0.35) | RIPK1LMNATRPA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011120508-A1 | CATALYSTS FOR ALKYNE METATHESIS | STUDIENGESELLSCHAFT KOHLE MBH (DE) | 2011-10-06 | — | — | WO | disclosed |