Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | FKBP1A | P62942 | 7/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.34 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13601767 | 1.00 | CHRNB2 (0.41) | CHRNB2CHRNA4CHRM2CHRM4CHRM5 | |
| SCHEMBL9247490 | 0.95 | FKBP1A (0.40) | CHRNB2CHRNA4CHRM2CHRM4CHRM5 | |
| SCHEMBL13601748 | 0.91 | FKBP1A (0.40) | CHRM2CHRM4CHRM1CHRM3FKBP1A | |
| SCHEMBL13601768 | 0.91 | FKBP1A (0.40) | CHRM2CHRM4CHRM1CHRM3FKBP1A | |
| SCHEMBL7262161 | 0.83 | FKBP1A (0.46) | FKBP1A | |
| SCHEMBL16609931 | 0.82 | FKBP1A (0.38) | CHRNB2CHRNA4CHRM3FKBP1ACYP3A4 | |
| SCHEMBL13601762 | 0.82 | PPM1B (0.41) | CHRNB2CHRNA4FKBP1ACYP3A4CYP2D6 | |
| SCHEMBL13601739 | 0.82 | PPM1B (0.41) | CHRNB2CHRNA4FKBP1ACYP3A4CYP2D6 | |
| SCHEMBL26694471 | 0.81 | FKBP1A (0.37) | CHRNB2CHRNA4FKBP1ACYP3A4CYP2D6 | |
| SCHEMBL12881536 | 0.80 | CHRM2 (0.35) | CHRNB2CHRNA4CHRM2CHRM4CHRM5 |
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 |