Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.33 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.33 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.33 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.33 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.33 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.33 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.33 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.33 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.33 |
| ▸ | TYMS | P04818 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7734973 | 0.91 | GRIN2D (0.37) | PGRGRIN1GRIN2DGRIN3BGRIN2A | |
| SCHEMBL7741122 | 0.88 | PRKAG1 (0.38) | CYP1A2GSK3BGRIN1PRKAB2PRKAG1 | |
| SCHEMBL7739851 | 0.87 | PRKAG1 (0.38) | CYP1A2PRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL7739647 | 0.87 | PRKAG1 (0.38) | CYP1A2GSK3BPRKAB2PRKAG1PRKAA2 | |
| SCHEMBL7740615 | 0.87 | PRKAG1 (0.36) | CYP1A2GSK3BPRKAB2PRKAG1PRKAA2 | |
| SCHEMBL7741420 | 0.86 | CHRNA7 (0.36) | CYP1A2PRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL7740618 | 0.85 | PTGES (0.38) | GRIN1PRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL7741121 | 0.85 | IDH1 (0.36) | PGRGRIN1PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL6922994 | 0.84 | CA12 (0.37) | GRIN1GRIN2DGRIN3BGRIN2AGRIN2B | |
| SCHEMBL7741259 | 0.84 | PRKAG1 (0.35) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 |
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 |