Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | GNAI3 | P08754 | 8/20 | 0.50 |
| ▸ | GNAO1 | P09471 | 8/20 | 0.50 |
| ▸ | GNAI1 | P63096 | 8/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | NAAA | Q02083 | 1/20 | 0.46 |
| ▸ | DGKA | P23743 | 1/20 | 0.46 |
| ▸ | PRKCA | P17252 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13601627 | 0.94 | NPC1 (0.58) | NPC1GNAI3GNAO1GNAI1HPGD | |
| SCHEMBL13601626 | 0.88 | NPC1 (0.57) | NPC1GNAI3GNAO1GNAI1HPGD | |
| SCHEMBL12881491 | 0.85 | GNAI3 (0.69) | GNAI3GNAO1GNAI1HTR2CLMNA | |
| SCHEMBL13601633 | 0.83 | NPC1 (0.55) | NPC1HPGDLMNAALDH1A1MEN1 | |
| SCHEMBL13601661 | 0.83 | HTR2C (0.51) | GNAI3GNAO1GNAI1HTR2CLMNA | |
| SCHEMBL12881511 | 0.82 | GNAI3 (0.51) | GNAI3GNAO1GNAI1HTR2CLMNA | |
| SCHEMBL14879738 | 0.82 | NPC1 (0.76) | NPC1GNAI3GNAO1GNAI1HPGD | |
| SCHEMBL3365303 | 0.82 | NPC1 (0.76) | NPC1GNAI3GNAO1GNAI1HPGD | |
| SCHEMBL13601407 | 0.82 | NAAA (0.47) | HTR2CKMT2ANAAADGKAPOLB | |
| SCHEMBL13601630 | 0.80 | NPC1 (0.54) | NPC1HPGDLMNAALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7625886-B2 | Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-12-01 | — | — | US | disclosed |
| US-7625886-B2 | Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-12-01 | — | — | US | disclosed |