Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | F2 | P00734 | 2/20 | 0.32 |
| ▸ | KLK1 | P06870 | 2/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.32 |
| ▸ | TMPRSS2 | O15393 | 1/20 | 0.32 |
| ▸ | HPN | P05981 | 1/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27787089 | 0.77 | GAA (0.65) | ALDH1A1CYP1A2L3MBTL1KDM4EGAA | |
| SCHEMBL22971022 | 0.77 | GAA (0.52) | ALDH1A1GAAMGAMSIMGAM2 | |
| SCHEMBL24901520 | 0.76 | KDM4E (0.42) | ALDH1A1CYP1A2L3MBTL1KDM4EGAA | |
| SCHEMBL7862877 | 0.76 | GAA (0.39) | GAAMGAMSIMGAM2POLB | |
| SCHEMBL179686 | 0.75 | — | — | |
| SCHEMBL729136 | 0.74 | — | — | |
| SCHEMBL7573684 | 0.74 | ALDH1A1 (0.39) | ALDH1A1CYP1A2L3MBTL1KDM4EGAA | |
| Hydrochloric Acid SCHEMBL23466978 | 0.74 | KDM4E (0.41) | ALDH1A1CYP1A2L3MBTL1KDM4EGAA | |
| SCHEMBL11418321 | 0.74 | KDM4E (0.38) | ALDH1A1CYP1A2L3MBTL1KDM4EGAA | |
| Hydrochloric Acid SCHEMBL394409 | 0.73 | — | — |
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-7858622-B2 | Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-12-28 | — | — | US | disclosed |