Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.64 |
| ▸ | NPC1 | O15118 | 2/20 | 0.64 |
| ▸ | RAB9A | P51151 | 2/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | TMEM97 | Q5BJF2 | 9/20 | 0.57 |
| ▸ | SIGMAR1 | Q99720 | 9/20 | 0.57 |
| ▸ | HTR1A | P08908 | 3/20 | 0.57 |
| ▸ | HRH2 | P25021 | 3/20 | 0.57 |
| ▸ | HRH1 | P35367 | 3/20 | 0.57 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.57 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.57 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.55 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.55 |
| ▸ | HTR2A | P28223 | 2/20 | 0.55 |
| ▸ | HTR2C | P28335 | 2/20 | 0.55 |
| ▸ | HTR2B | P41595 | 2/20 | 0.55 |
| ▸ | DRD1 | P21728 | 1/20 | 0.55 |
| ▸ | HTR1B | P28222 | 1/20 | 0.55 |
| ▸ | HTR1E | P28566 | 1/20 | 0.55 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL13361340 | 0.95 | SMN1; SMN2 (0.60) | SMN1; SMN2NPC1RAB9ACYP2C19TMEM97 | |
| SCHEMBL23421452 | 0.89 | SMN1; SMN2 (0.62) | SMN1; SMN2NPC1RAB9ACYP2C19TMEM97 | |
| SCHEMBL15407246 | 0.88 | TMEM97 (0.56) | SMN1; SMN2NPC1RAB9ACYP2C19TMEM97 | |
| SCHEMBL14529024 | 0.88 | SMN1; SMN2 (0.68) | SMN1; SMN2NPC1RAB9ACYP2C19TMEM97 | |
| SCHEMBL1908733 | 0.88 | SMN1; SMN2 (0.57) | SMN1; SMN2NPC1RAB9ACYP2C19TMEM97 | |
| SCHEMBL24183442 | 0.87 | SMN1; SMN2 (0.67) | SMN1; SMN2NPC1RAB9ACYP2C19TMEM97 | |
| SCHEMBL2607031 | 0.86 | MEN1 (0.66) | SMN1; SMN2NPC1RAB9ACYP2C19TMEM97 | |
| SCHEMBL24673292 | 0.86 | MEN1 (0.66) | SMN1; SMN2NPC1RAB9ACYP2C19TMEM97 | |
| SCHEMBL30738370 | 0.86 | SMN1; SMN2 (0.65) | SMN1; SMN2NPC1RAB9ACYP2C19TMEM97 | |
| SCHEMBL13661299 | 0.86 | SMN1; SMN2 (0.65) | SMN1; SMN2NPC1RAB9ACYP2C19TMEM97 |
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 |
|---|---|---|---|---|---|---|---|
| US-7696195-B2 | Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-13 | — | — | US | disclosed |