Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 4/20 | 0.51 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.51 |
| ▸ | GABRB1 | P18505 | 3/20 | 0.51 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CLEC4M | Q9H2X3 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1127044 | 0.81 | GABRA1 (0.45) | GABRA1GABRB2GABRB1GABRA3CYP1A2 | |
| SCHEMBL4649996 | 0.78 | GABRA1 (0.56) | GABRA1GABRB2GABRB1GABRA3CYP1A2 | |
| SCHEMBL4650007 | 0.78 | CYP1A2 (0.52) | GABRA1GABRB2GABRB1GABRA3CYP1A2 | |
| SCHEMBL7258392 | 0.77 | CYP1A2 (0.76) | GABRA1GABRB2GABRB1GABRA3CYP1A2 | |
| SCHEMBL6693441 | 0.75 | CYP1A2 (0.64) | GABRA1GABRB2GABRB1GABRA3CYP1A2 | |
| SCHEMBL1430430 | 0.74 | CYP1A2 (0.63) | GABRA1GABRB2GABRB1GABRA3CYP1A2 | |
| SCHEMBL3274638 | 0.72 | CYP1A2 (0.60) | GABRA1GABRB2GABRB1GABRA3CYP1A2 | |
| SCHEMBL10519082 | 0.72 | CYP1A2 (0.60) | GABRA1GABRB2GABRB1GABRA3CYP1A2 | |
| SCHEMBL9635290 | 0.72 | CYP1A2 (0.66) | GABRA1GABRB2GABRB1GABRA3CYP1A2 | |
| SCHEMBL29376920 | 0.72 | CYP1A2 (0.66) | GABRA1GABRB2GABRB1GABRA3CYP1A2 |
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-2283015-A2 | 4-OXO-1,4-DIHYDROQUINOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | Merck Sharp & Dohme Corp. (US) | 2011-02-16 | — | — | EP | disclosed |
| WO-2009134668-A2 | 4-OXO-1,4-DIHYDROQUINOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK & CO., INC. (US) | 2009-11-05 | — | — | WO | disclosed |