Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 1/20 | 0.53 |
| ▸ | THRA | P10827 | 2/20 | 0.51 |
| ▸ | THRB | P10828 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | RAD52 | P43351 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.45 |
| ▸ | DGKA | P23743 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6476420 | 1.00 | NAAA (0.53) | NAAATHRATHRBNPC1TP53 | |
| SCHEMBL10852328 | 0.93 | THRA (0.47) | NAAATHRATHRBNPC1TP53 | |
| SCHEMBL11855822 | 0.93 | NAAA (0.60) | NAAATHRATHRBNPSR1RAD52 | |
| SCHEMBL5990174 | 0.92 | FAAH (0.52) | NAAATHRATHRBNPC1TP53 | |
| Cadaverine Tartrate SCHEMBL5986724 | 0.90 | THRA (0.44) | NAAATHRATHRBNPC1TP53 | |
| SCHEMBL12881348 | 0.87 | GNAI3 (0.55) | NAAATHRATHRBNPSR1RAD52 | |
| SCHEMBL12772763 | 0.87 | GNAI3 (0.55) | NAAATHRATHRBNPSR1RAD52 | |
| SCHEMBL12772778 | 0.86 | NAAA (0.43) | NAAATHRATHRBNPC1TP53 | |
| SCHEMBL12881667 | 0.86 | NAAA (0.43) | NAAATHRATHRBNPC1TP53 | |
| SCHEMBL12881647 | 0.86 | NAAA (0.43) | NAAATHRATHRBNPC1TP53 |
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-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 |