Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 8/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | NSD2 | O96028 | 1/20 | 0.33 |
| ▸ | DGAT2 | Q96PD7 | 2/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | RAMP1 | O60894 | 1/20 | 0.32 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CALCB | P10092 | 2/20 | 0.31 |
| ▸ | ADM2 | Q7Z4H4 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13997664 | 0.86 | MMP13 (0.40) | ALDH1A1HDAC1HPGD | |
| SCHEMBL13997426 | 0.81 | BACE1 (0.34) | — | |
| SCHEMBL13997471 | 0.80 | KCNT1 (0.36) | — | |
| SCHEMBL16602175 | 0.80 | CALCRL (0.45) | RAMP1CALCRLCALCBADM2 | |
| SCHEMBL13253220 | 0.79 | CALCRL (0.40) | ADORA2AADORA1ADORA3ADORA2BALDH1A1 | |
| SCHEMBL13997468 | 0.78 | NPC1 (0.43) | CYP2C9KDM4EHPGD | |
| SCHEMBL13997477 | 0.78 | SMN1; SMN2 (0.35) | ALDH1A1HDAC1KDM4EHPGD | |
| SCHEMBL13997475 | 0.78 | KLKB1 (0.33) | ADORA2AADORA1ALDH1A1HPGDMAPK1 | |
| SCHEMBL13997424 | 0.78 | HDAC1 (0.31) | HDAC1 | |
| SCHEMBL13997425 | 0.75 | ACHE (0.39) | ALDH1A1KDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008153849-A1 | CARBOXAMIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2008-12-18 | — | — | WO | disclosed |