Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.36 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.35 |
| ▸ | THRA | P10827 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | TPH1 | P17752 | 2/20 | 0.34 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.34 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL5235272 | 0.86 | THRB (0.40) | CPB2TSHRKDM4EALDH1A1GAA | |
| SCHEMBL4800520 | 0.84 | SLC7A5 (0.47) | KDM4ESLC7A5THRATHRBTDP1 | |
| SCHEMBL4800531 | 0.84 | SLC7A5 (0.47) | KDM4ESLC7A5THRATHRBTDP1 | |
| SCHEMBL3310473 | 0.83 | ADRB2 (0.41) | CPB2HPGDHSD11B1TPH1 | |
| SCHEMBL3311167 | 0.83 | ADRB2 (0.41) | CPB2HPGDHSD11B1TPH1 | |
| SCHEMBL4717979 | 0.81 | SMN1; SMN2 (0.43) | TSHRSMN1; SMN2KDM4EALDH1A1SLC7A5 | |
| SCHEMBL4800166 | 0.80 | CYP3A4 (0.45) | CPB2TSHRSMN1; SMN2KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL3312834 | 0.80 | SMN1; SMN2 (0.43) | TSHRSMN1; SMN2KDM4EALDH1A1SLC7A5 | |
| SCHEMBL21117866 | 0.79 | SMN1; SMN2 (0.55) | TSHRSMN1; SMN2KDM4EALDH1A1GAA | |
| SCHEMBL4721770 | 0.79 | THRB (0.38) | CPB2SLC7A5THRATHRBTPH1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1737842-A1 | SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS DRUGS | Boehringer Ingelheim International GmbH (DE) | 2007-01-03 | — | — | EP | disclosed |
| WO-2005100343-A1 | SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS DRUGS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-10-27 | — | — | WO | disclosed |