Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | EDNRB | P24530 | 2/20 | 0.34 |
| ▸ | EDNRA | P25101 | 2/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14565700 | 0.82 | TRPA1 (0.41) | TRPA1CYP2A6CYP1A2MAPTRAB9A | |
| SCHEMBL14565787 | 0.78 | TRPA1 (0.46) | TRPA1CYP2A6CYP1A2MAPTRAB9A | |
| SCHEMBL4798301 | 0.78 | TRPA1 (0.46) | TRPA1CYP2A6CYP1A2MAPTRAB9A | |
| SCHEMBL13772758 | 0.74 | TRPA1 (0.43) | TRPA1CYP2A6CYP1A2MAPTRAB9A | |
| SCHEMBL10871333 | 0.74 | TRPA1 (0.43) | TRPA1CYP2A6CYP1A2MAPTRAB9A | |
| SCHEMBL11797035 | 0.74 | TRPA1 (0.43) | TRPA1CYP2A6CYP1A2MAPTRAB9A | |
| SCHEMBL19676665 | 0.74 | TRPA1 (0.39) | TRPA1CYP2A6CYP1A2MAPTRAB9A | |
| SCHEMBL10208289 | 0.73 | TRPA1 (0.64) | TRPA1CYP2A6CYP1A2MAPTRAB9A | |
| SCHEMBL257061 | 0.73 | ALDH1A1 (0.42) | TRPA1CYP2A6CYP1A2MAPTRAB9A | |
| SCHEMBL14899824 | 0.73 | NOS3 (0.42) | TRPA1CYP2A6CYP1A2MAPTRAB9A |
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-1732917-B1 | SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM PHARMA (DE) | 2009-07-29 | — | — | EP | disclosed |