Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | ACP1 | P24666 | 3/20 | 0.45 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL6995511 | 0.92 | MAPK1 (0.48) | HSD17B10MAPK1ACP1ACHETSHR | |
| SCHEMBL6993628 | 0.86 | LMNA (0.51) | HSD17B10MAPK1ACHEKDM4EALDH1A1 | |
| SCHEMBL6998411 | 0.86 | IKBKB (0.43) | HSD17B10MAPK1ACHECYP3A4GABRA1 | |
| SCHEMBL6990524 | 0.86 | ADORA1 (0.46) | HSD17B10MAPK1KDM4EALDH1A1HPGD | |
| SCHEMBL6997246 | 0.82 | CALCA (0.42) | HSD17B10MAPK1TSHRKDM4EALDH1A1 | |
| SCHEMBL6995965 | 0.82 | GSK3A (0.48) | HSD17B10MAPK1TSHRKDM4EALDH1A1 | |
| SCHEMBL6998659 | 0.81 | ACP1 (0.42) | ACP1GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL6995915 | 0.80 | GABRA1 (0.43) | HSD17B10TSHRKDM4EALDH1A1CYP3A4 | |
| SCHEMBL6991742 | 0.80 | GABRA1 (0.41) | HSD17B10ACP1KDM4EALDH1A1HPGD | |
| SCHEMBL6993936 | 0.80 | HSD17B10 (0.51) | HSD17B10MAPK1ACP1ACHETSHR |
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 |
| EP-1049697-B1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2003-09-17 | — | — | EP | disclosed |
| US-6355798-B1 | LIGANDS FOR GAMMA-AMINOBUTYRIC ACID RECEPTORS; ANTICONVULSANTS, ANXIOLYTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 2002-03-12 | — | — | US | disclosed |