Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | KDM5A | P29375 | 1/20 | 0.43 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.43 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CSNK2A2 | P19784 | 3/20 | 0.42 |
| ▸ | CSNK2B | P67870 | 3/20 | 0.42 |
| ▸ | CSNK2A1 | P68400 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.40 |
| ▸ | TET1 | Q8NFU7 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4649289 | 0.88 | ALDH1A1 (0.53) | ALDH1A1CYP1A2HPGDMEN1ALOX12 | |
| SCHEMBL4650022 | 0.88 | ALDH1A1 (0.50) | ALDH1A1CYP1A2HPGDMEN1ALOX12 | |
| SCHEMBL4789294 | 0.88 | ALDH1A1 (0.46) | ALDH1A1CYP1A2HPGDMEN1ALOX12 | |
| SCHEMBL4650041 | 0.87 | ALDH1A1 (0.47) | ALDH1A1CYP1A2HPGDMEN1ALOX12 | |
| SCHEMBL4649447 | 0.87 | RAB9A (0.49) | ALDH1A1CYP1A2HPGDLMNACSNK2A2 | |
| SCHEMBL4649277 | 0.86 | ALDH1A1 (0.41) | ALDH1A1CYP1A2HPGDMEN1ALOX12 | |
| SCHEMBL4649455 | 0.85 | ALDH1A1 (0.50) | ALDH1A1CYP1A2HPGDMEN1ALOX12 | |
| SCHEMBL4650793 | 0.84 | ALDH1A1 (0.46) | ALDH1A1CYP1A2HPGDMEN1ALOX12 | |
| SCHEMBL4650127 | 0.84 | KDM4A (0.48) | ALDH1A1CYP1A2HPGDMEN1ALOX12 | |
| SCHEMBL4650809 | 0.83 | PRKAB2 (0.47) | ALDH1A1HPGDKDM5AKDM5BLMNA |
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-1963271-A1 | QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | Merck & Co., Inc. (US) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007100366-A2 | QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK & CO., INC. (US) | 2007-09-07 | — | — | WO | disclosed |
| WO-2007067489-A1 | QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK & CO., INC. (US) | 2007-06-14 | — | — | WO | disclosed |