Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | SCN1A | P35498 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12881391 | 0.88 | ALDH1A1 (0.43) | ALDH1A1GLAKDM4EGAAPKM | |
| SCHEMBL12881465 | 0.87 | ALDH1A1 (0.40) | ALDH1A1GLAKDM4EGAAPKM | |
| SCHEMBL12772827 | 0.87 | ALDH1A1 (0.40) | ALDH1A1GLAKDM4EGAAPKM | |
| SCHEMBL13601672 | 0.86 | TSHR (0.56) | ALDH1A1GLAKDM4EGAAPKM | |
| SCHEMBL65326 | 0.85 | THRB (0.60) | ALDH1A1GLAGAAHRH3MAPK1 | |
| SCHEMBL13601424 | 0.85 | HRH3 (0.53) | ALDH1A1GLAKDM4EGAAPKM | |
| SCHEMBL12120215 | 0.82 | THRB (0.62) | ALDH1A1HRH3MAPK1CYP1A2CHRM2 | |
| SCHEMBL12120216 | 0.82 | THRB (0.62) | ALDH1A1HRH3MAPK1CYP1A2CHRM2 | |
| SCHEMBL12120214 | 0.82 | THRB (0.62) | ALDH1A1HRH3MAPK1CYP1A2CHRM2 | |
| SCHEMBL12120211 | 0.82 | THRB (0.62) | ALDH1A1HRH3MAPK1CYP1A2CHRM2 |
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 |