Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | RECQL | P46063 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15752225 | 0.92 | ALDH1A1 (0.36) | ALDH1A1RECQLLMNAMAPTMTNR1A | |
| SCHEMBL6525187 | 0.86 | EPHX2 (0.43) | ALDH1A1RECQLLMNAMAPTEPHX2 | |
| SCHEMBL3657873 | 0.86 | EPHX2 (0.35) | ALDH1A1MAPTMTNR1AHPGDSMN1; SMN2 | |
| SCHEMBL6525624 | 0.80 | EPHX2 (0.44) | ALDH1A1RECQLLMNAMAPTMAPK1 | |
| SCHEMBL3656515 | 0.78 | EPHX2 (0.36) | ALDH1A1RECQLLMNAMAPTMTNR1A | |
| SCHEMBL6681269 | 0.73 | PTPN1 (0.51) | ALDH1A1LMNAMAPTMTNR1AMTNR1B | |
| SCHEMBL6517994 | 0.72 | EPHX2 (0.46) | ALDH1A1MAPTMEN1KMT2AEPHX2 | |
| SCHEMBL30178371 | 0.72 | ALDH1A1 (0.46) | ALDH1A1RECQLLMNAMAPTMTNR1A | |
| SCHEMBL28638738 | 0.72 | ALDH1A1 (0.46) | ALDH1A1RECQLLMNAMAPTMTNR1A | |
| SCHEMBL17870715 | 0.72 | ALDH1A1 (0.44) | ALDH1A1RECQLLMNAMAPTPTPN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2205590-B1 | CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2014-06-04 | — | — | EP | disclosed |
| EP-2205590-A1 | CGRP ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2010-07-14 | — | — | EP | disclosed |
| WO-2009050232-A1 | CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-23 | — | — | WO | disclosed |