Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCA | P06881 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | RAD52 | P43351 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TRIM58 | Q8NG06 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6991742 | 0.94 | GABRA1 (0.41) | ALDH1A1RAD52KMT2AHTR6KDM4E | |
| SCHEMBL6995915 | 0.84 | GABRA1 (0.43) | ALDH1A1KMT2AKDM4EHPGDHSD17B10 | |
| SCHEMBL6993668 | 0.82 | HSD17B10 (0.50) | ALDH1A1MAPK1KMT2AKDM4EHPGD | |
| SCHEMBL5846998 | 0.82 | GABRA1 (0.38) | ALDH1A1KMT2AKDM4EHPGDHSD17B10 | |
| SCHEMBL6994092 | 0.81 | GABRA1 (0.44) | KDM4EHPGDHSD17B10GABRA1GABRG2 | |
| SCHEMBL6995511 | 0.80 | MAPK1 (0.48) | ALDH1A1MAPK1KMT2AKDM4EHPGD | |
| SCHEMBL6995965 | 0.80 | GSK3A (0.48) | ALDH1A1MAPK1KMT2AKDM4EHPGD | |
| SCHEMBL6992864 | 0.79 | GABRA1 (0.55) | ALDH1A1GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL6994248 | 0.78 | GABRA1 (0.40) | ALDH1A1KMT2AKDM4EHPGDHSD17B10 | |
| SCHEMBL6990524 | 0.78 | ADORA1 (0.46) | ALDH1A1MAPK1KMT2AKDM4EHPGD |
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-1049697-B1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2003-09-17 | — | — | EP | claimed |
| US-6355798-B1 | LIGANDS FOR GAMMA-AMINOBUTYRIC ACID RECEPTORS; ANTICONVULSANTS, ANXIOLYTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 2002-03-12 | — | — | US | claimed |
| US-6355798-B1 | LIGANDS FOR GAMMA-AMINOBUTYRIC ACID RECEPTORS; ANTICONVULSANTS, ANXIOLYTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 2002-03-12 | — | — | US | disclosed |