Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 8/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.50 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.50 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.50 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.50 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.50 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.50 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.50 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6811197 | 1.00 | KCNH2 (0.50) | KCNH2CYP2D6GRIN2DGRIN3BGRIN1 | |
| SCHEMBL7077436 | 1.00 | KCNH2 (0.50) | KCNH2CYP2D6GRIN2DGRIN3BGRIN1 | |
| SCHEMBL7337190 | 0.86 | CYP2D6 (0.69) | KCNH2CYP2D6GRIN2DGRIN3BGRIN1 | |
| SCHEMBL7337184 | 0.86 | CYP2D6 (0.69) | KCNH2CYP2D6GRIN2DGRIN3BGRIN1 | |
| SCHEMBL7940044 | 0.83 | CYP2D6 (0.71) | KCNH2CYP2D6GRIN2DGRIN3BGRIN1 | |
| SCHEMBL6918366 | 0.83 | CYP2D6 (0.71) | KCNH2CYP2D6GRIN2DGRIN3BGRIN1 | |
| SCHEMBL6811671 | 0.83 | CYP2D6 (0.71) | KCNH2CYP2D6GRIN2DGRIN3BGRIN1 | |
| SCHEMBL8812723 | 0.81 | CYP2D6 (0.43) | KCNH2CYP2D6GRIN2DGRIN3BGRIN1 | |
| SCHEMBL6811850 | 0.80 | CHRNA1 (0.39) | GRIN2BOPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL7328022 | 0.74 | SLC6A4 (0.55) | KCNH2CYP2D6GRIN2DGRIN3BGRIN1 |
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-6258827-B1 | HYDROXYAROMATIC HETEROCYCLIC ALKANOLS AND LEVODOPA | PFIZER INC. | 2001-07-10 | — | — | US | disclosed |