Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 4/20 | 0.40 |
| ▸ | TNK2 | Q07912 | 4/20 | 0.40 |
| ▸ | KDR | P35968 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL6993628 | 0.89 | LMNA (0.51) | MAPK1HSD17B10ACHELMNACYP3A4 | |
| SCHEMBL6993668 | 0.86 | HSD17B10 (0.50) | MAPK1HSD17B10ACHEDRD2DRD3 | |
| SCHEMBL6995511 | 0.83 | MAPK1 (0.48) | MAPK1HSD17B10ACHELMNACYP3A4 | |
| SCHEMBL6995915 | 0.79 | GABRA1 (0.43) | PIM1HSD17B10LMNACYP3A4GABRA1 | |
| SCHEMBL6991742 | 0.79 | GABRA1 (0.41) | IKBKBPIM1HSD17B10LMNAGABRA1 | |
| SCHEMBL6998406 | 0.79 | GABRA1 (0.47) | IKBKBPIM1MAPK1HSD17B10LCK | |
| SCHEMBL6998659 | 0.79 | ACP1 (0.42) | PIM1GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL6997246 | 0.78 | CALCA (0.42) | PIM1MAPK1HSD17B10LMNACYP3A4 | |
| SCHEMBL6990524 | 0.78 | ADORA1 (0.46) | MAPK1HSD17B10LMNACYP1A2 | |
| SCHEMBL6992864 | 0.77 | GABRA1 (0.55) | PIM1GABRA1GABRG2GABRB3GABRA3 |
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 4 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 |
| 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 |