Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.38 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL2649362 | 0.91 | MALT1 (0.40) | TP53ADORA2AADORA1MALT1ALDH1A1 | |
| SCHEMBL2649301 | 0.83 | MAPT (0.43) | MALT1ALDH1A1MAPTKMT2AKDM4E | |
| SCHEMBL2650708 | 0.82 | GAA (0.38) | TP53MALT1ALDH1A1MAPTKDM4E | |
| SCHEMBL2649737 | 0.79 | CA2 (0.35) | MALT1MEN1KMT2ANPSR1RAB9A | |
| SCHEMBL2650770 | 0.78 | GAA (0.47) | ALDH1A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL2651418 | 0.77 | ABCB1 (0.43) | ALDH1A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL7434683 | 0.77 | GAA (0.37) | ALDH1A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL2649751 | 0.77 | KIT (0.40) | ALDH1A1MAPTMEN1KMT2ANPSR1 | |
| SCHEMBL2648853 | 0.77 | GAA (0.39) | ALDH1A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL2649158 | 0.77 | GAA (0.35) | MAPTMEN1KMT2ANPSR1RAB9A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6333336-B1 | GAMMA-AMINOBUTYRIC ACID RECEPTORS AS ANTICONVULSANTS FORMING THE COMPOUND BY AMIDATION | MERCK SHARP & DOHME LTD. (GB) | 2001-12-25 | — | — | US | claimed |
| EP-1064283-A1 | PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2001-01-03 | — | — | EP | claimed |
| WO-1999048892-A1 | PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1999-09-30 | — | — | WO | claimed |
| US-6333336-B1 | GAMMA-AMINOBUTYRIC ACID RECEPTORS AS ANTICONVULSANTS FORMING THE COMPOUND BY AMIDATION | MERCK SHARP & DOHME LTD. (GB) | 2001-12-25 | — | — | US | disclosed |
| EP-1064283-A1 | PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2001-01-03 | — | — | EP | disclosed |
| WO-1999048892-A1 | PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1999-09-30 | — | — | WO | disclosed |