Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 1/20 | 0.47 |
| ▸ | DGKA | P23743 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 10/20 | 0.46 |
| ▸ | THRA | P10827 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL13601405 | 0.94 | POLB (0.49) | POLBHTTHRH3KMT2A | |
| SCHEMBL13601455 | 0.88 | POLB (0.51) | POLBHTTHRH3KMT2A | |
| SCHEMBL4979398 | 0.88 | NAAA (0.56) | NAAADGKAHTR2CTHRATHRB | |
| SCHEMBL11711713 | 0.88 | NAAA (0.56) | NAAADGKAHTR2CTHRATHRB | |
| SCHEMBL13670291 | 0.86 | NAAA (0.45) | NAAADGKAHTR2CTHRATHRB | |
| SCHEMBL12881378 | 0.86 | GNAI3 (0.57) | NAAADGKAHTR2CTHRATHRB | |
| SCHEMBL12881381 | 0.86 | GNAI3 (0.57) | NAAADGKAHTR2CTHRATHRB | |
| SCHEMBL13601370 | 0.85 | NAAA (0.50) | NAAADGKAHTR2CHRH3 | |
| SCHEMBL10036916 | 0.84 | CHRM1 (0.44) | NAAADGKAHTR2CHRH3THRA | |
| SCHEMBL12881380 | 0.84 | GNAI3 (0.55) | NAAADGKAHTR2CTHRATHRB |
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 |