Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 5/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.32 |
| ▸ | TYMS | P04818 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7740618 | 0.90 | PTGES (0.38) | AKR1C3AKR1C2GRIN1PDE2A | |
| SCHEMBL6929181 | 0.84 | GRIN1 (0.39) | GRIN1PDE2ACDK5CDK5R1 | |
| SCHEMBL7735090 | 0.82 | NTRK1 (0.36) | AKR1C3AKR1C2PDE2A | |
| SCHEMBL7742769 | 0.82 | APP (0.39) | AKR1C3AKR1C2APPCDK5CDK5R1 | |
| SCHEMBL7739647 | 0.81 | PRKAG1 (0.38) | — | |
| SCHEMBL7739889 | 0.81 | APP (0.35) | AKR1C3AKR1C2APPPDE2ACDK5 | |
| SCHEMBL6928605 | 0.79 | HPRT1 (0.31) | GRIN1 | |
| SCHEMBL7198441 | 0.79 | AR (0.36) | GRIN1 | |
| SCHEMBL7741122 | 0.78 | PRKAG1 (0.38) | GRIN1 | |
| SCHEMBL6923316 | 0.78 | GRIN1 (0.36) | GRIN1 |
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 |