Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNAI3 | P08754 | 7/20 | 0.58 |
| ▸ | GNAO1 | P09471 | 7/20 | 0.58 |
| ▸ | GNAI1 | P63096 | 7/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.35 |
| ▸ | CACNB1 | Q02641 | 2/20 | 0.35 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.35 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | NCF1 | P14598 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6602806 | 0.82 | GNAI3 (0.57) | GNAI3GNAO1GNAI1ALDH1A1NPC1 | |
| Hydrochloric Acid SCHEMBL6602236 | 0.81 | GNAI3 (0.59) | GNAI3GNAO1GNAI1ALDH1A1NPC1 | |
| SCHEMBL799201 | 0.81 | TDP1 (0.54) | CYP1A2TDP1 | |
| SCHEMBL5281838 | 0.79 | GNAI3 (0.62) | GNAI3GNAO1GNAI1ALDH1A1NPC1 | |
| SCHEMBL13772844 | 0.78 | GNAI3 (0.58) | GNAI3GNAO1GNAI1ALDH1A1NPC1 | |
| SCHEMBL2606048 | 0.77 | ALDH1A1 (0.67) | ALDH1A1NPC1ACHE | |
| SCHEMBL19973506 | 0.77 | ALDH1A1 (0.41) | GNAI3GNAO1GNAI1ALDH1A1NPC1 | |
| SCHEMBL14017584 | 0.76 | ITGB3 (0.47) | GNAI3GNAO1GNAI1ALDH1A1NPC1 | |
| SCHEMBL5364720 | 0.75 | GNAI3 (0.50) | GNAI3GNAO1GNAI1ALDH1A1NPC1 | |
| SCHEMBL12881324 | 0.75 | GNAI3 (0.49) | GNAI3GNAO1GNAI1ALDH1A1CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2108648-A1 | Selected CGRP antagonists, method for their manufacture and use as medicines | Boehringer Ingelheim International GmbH (DE) | 2009-10-14 | — | — | EP | disclosed |
| EP-1863791-B1 | 2-OXO-1,2,4,5-TETRAHYDRO-1,3-BENZODIAZEPIN-3-YL-PIPERIDINES USED AS CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2008-11-12 | — | — | EP | disclosed |