Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | NPBWR1 | P48145 | 4/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7734964 | 0.89 | ALDH1A1 (0.41) | ALDH1A1MAPK1PGRGRIN2DGRIN3B | |
| SCHEMBL7741117 | 0.86 | PRKAG1 (0.37) | CYP1A2GSK3BALDH1A1TSHRHSD17B10 | |
| SCHEMBL7739643 | 0.85 | GSK3B (0.37) | CYP1A2GSK3BALDH1A1TSHRHSD17B10 | |
| SCHEMBL7739842 | 0.85 | PRKAG1 (0.42) | CYP1A2ALDH1A1CYP3A4GRIN2DGRIN3B | |
| SCHEMBL7740612 | 0.85 | PRKAG1 (0.40) | CYP1A2GSK3BALDH1A1CYP3A4GRIN2D | |
| SCHEMBL7741417 | 0.84 | CA12 (0.39) | CYP1A2CA1CA2CYP3A4 | |
| SCHEMBL7741263 | 0.83 | GRIA1 (0.41) | CYP1A2GSK3BALDH1A1NPBWR1NPC1 | |
| SCHEMBL7740617 | 0.83 | PTGES (0.36) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL7741113 | 0.83 | IDH1 (0.41) | ALDH1A1PGRGRIN2DGRIN3BGRIN1 | |
| SCHEMBL6922992 | 0.82 | GRIN2D (0.40) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6420386-B1 | SPINAL TRAUMATISM, EPILEPSY, CHRONIC NEURODEGENERATIVE DISEASES SUCH AS ALZHEIMER'S DISEASE, SCHIZOPHRENIA, LATERAL AMYOTROPHIC SCLEROSIS OR HUNTINGTON'S CHOREA. | LES LABORATORIES SERVIER (FR) | 2002-07-16 | — | — | US | disclosed |