Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | PRNP | P04156 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.43 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.43 |
| ▸ | PRKDC | P78527 | 1/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL23091182 | 0.79 | ERN1 (0.55) | KDM4EALDH1A1HPGDNPC1PTGS2 | |
| SCHEMBL23091194 | 0.79 | KDM4E (0.54) | KDM4EPTGS2ENPP2HDAC2SRPK1 | |
| SCHEMBL30501712 | 0.79 | KDM4E (0.54) | KDM4EPTGS2ENPP2HDAC2SRPK1 | |
| SCHEMBL27565414 | 0.76 | ALDH1A1 (0.57) | KDM4EALDH1A1LMNAPRNPHPGD | |
| SCHEMBL3377274 | 0.75 | ALDH1A1 (0.51) | KDM4EALDH1A1HPGDHSD17B10ENPP2 | |
| SCHEMBL17214988 | 0.74 | NPC1 (0.50) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL13680470 | 0.74 | NPC1 (0.50) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL15428851 | 0.72 | NPC1 (0.43) | ALDH1A1HPGDNPC1PTGS2PSMB8 | |
| SCHEMBL982808 | 0.72 | CCNT1 (0.62) | ARCA12CA1CA2CA9 | |
| SCHEMBL18551808 | 0.72 | NPC1 (0.47) | CA12CA1CA2CA9NPC1 |
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-1311505-A2 | QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE ( NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ) | PHARMACIA & UPJOHN COMPANY (US) | 2003-05-21 | — | — | EP | claimed |
| WO-2002015662-A2 | QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS | PHARMACIA & UPJOHN COMPANY (US) | 2002-02-28 | — | — | WO | claimed |
| WO-2002016355-A2 | QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC) ACETYLCHOLINE RECEPTOR LIGANDS | PHARMACIA & UPJOHN COMPANY (US) | 2002-02-28 | — | — | WO | claimed |