Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 9/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.52 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | GUCY1B2 | O75343 | 2/20 | 0.44 |
| ▸ | GUCY1A2 | P33402 | 2/20 | 0.44 |
| ▸ | GUCY1A1 | Q02108 | 2/20 | 0.44 |
| ▸ | GUCY1B1 | Q02153 | 2/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6859181 | 0.78 | PDE5A (0.42) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL25407314 | 0.76 | PTGS1 (0.56) | ADORA2AADORA1ADORA2BPTGS1KDM4E | |
| SCHEMBL3436668 | 0.76 | GUCY1B2 (0.56) | ADORA2AADORA1ADORA3ADORA2BGUCY1B2 | |
| SCHEMBL3436671 | 0.76 | GUCY1B2 (0.72) | ADORA2AADORA1ADORA3ADORA2BGUCY1B2 | |
| SCHEMBL3437444 | 0.75 | GUCY1B2 (0.48) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL10330306 | 0.72 | ADORA2A (0.45) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL7668222 | 0.72 | ADORA2A (0.53) | ADORA2AADORA1ADORA3ADORA2BALDH1A1 | |
| SCHEMBL20433786 | 0.71 | ALDH1A1 (0.47) | NPC1ALDH1A1RAB9ASMN1; SMN2GUCY1B2 | |
| SCHEMBL6868182 | 0.71 | BTK (0.62) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL3472815 | 0.71 | ADORA2A (0.48) | ADORA2AADORA1ADORA3ADORA2BPTGS1 |
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-1027336-B1 | HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS | NEUROSEARCH AS (DK) | 2004-10-06 | — | — | EP | claimed |
| EP-0944631-B1 | NOVEL SUBSTITUTED PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CARDIOCIRCULATORY DISEASES | BAYER HEALTHCARE AG (DE) | 2004-02-18 | — | — | EP | disclosed |