Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 3/20 | 0.35 |
| ▸ | MDM4 | O15151 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17440325 | 0.80 | KDM4E (0.43) | ALDH1A1KDM4ETP53ATM | |
| SCHEMBL6377285 | 0.76 | KDM4E (0.49) | ALDH1A1RAB9AKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL6378210 | 0.73 | KDM4E (0.73) | ALDH1A1RAB9AKDM4EHPGDPDE3B | |
| SCHEMBL18188355 | 0.73 | S1PR4 (0.38) | RAB9AKDM4ESMN1; SMN2NPC1 | |
| SCHEMBL4061114 | 0.72 | S1PR4 (0.39) | KDM4EL3MBTL1 | |
| SCHEMBL1997269 | 0.72 | CA1 (0.57) | — | |
| SCHEMBL608235 | 0.72 | TACR1 (0.33) | KDM4E | |
| SCHEMBL7043778 | 0.71 | MTNR1A (0.45) | ALDH1A1LTA4HSMN1; SMN2TP53HTT | |
| SCHEMBL15492954 | 0.71 | CA1 (0.32) | — | |
| Hydrogen Sulfide SCHEMBL5082548 | 0.70 | CA1 (0.55) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100334085-C | Quinuclidine compound and medicine containing the same as active ingredient | EISAI R & D CO LTD (JP) | 2007-08-29 | — | — | CN | disclosed |
| EP-1217001-B1 | QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | EISAI CO LTD (JP) | 2005-12-07 | — | — | EP | disclosed |
| US-6599917-B1 | A squalene-synthesizing enzyme inhibitor, a cholesterol biosynthesis inhibitor and a triglyceride biosynthesis inhibitor | EISAI CO., LTD. (JP) | 2003-07-29 | — | — | US | disclosed |
| CN-1377349-A | Quinuclidine compound and medicine containing the same as active ingredient | EISAI CO LTD (JP) | 2002-10-30 | — | — | CN | disclosed |
| EP-1217001-A1 | QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | Eisai Co., Ltd. (JP) | 2002-06-26 | — | — | EP | disclosed |