Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2D known ✓ | O15399 | 1/20 | 0.53 |
| ▸ | GRIN3B known ✓ | O60391 | 1/20 | 0.53 |
| ▸ | GRIN1 known ✓ | Q05586 | 1/20 | 0.53 |
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.53 |
| ▸ | GRIN2B known ✓ | Q13224 | 1/20 | 0.53 |
| ▸ | GRIN2C known ✓ | Q14957 | 1/20 | 0.53 |
| ▸ | GRIN3A known ✓ | Q8TCU5 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.56 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.46 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7946764 | 1.00 | CYP2D6 (0.61) | CYP2D6KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL7081933 | 0.93 | CYP2D6 (0.69) | CYP2D6KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL7082246 | 0.93 | CYP2D6 (0.69) | CYP2D6KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL7946835 | 0.93 | CYP2D6 (0.69) | CYP2D6KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL8059205 | 0.93 | KCNH2 (0.63) | CYP2D6KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL6812665 | 0.93 | KCNH2 (0.63) | CYP2D6KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL8062623 | 0.92 | CYP2D6 (0.57) | CYP2D6KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL8062625 | 0.92 | CYP2D6 (0.57) | CYP2D6KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL7948725 | 0.91 | CYP2D6 (0.64) | CYP2D6KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL7948727 | 0.91 | CYP2D6 (0.64) | CYP2D6KCNH2GRIN2DGRIN3BGRIN1 |
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 2 patents. 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 |
| US-6046213-A | Neuroprotective 3-(piperidinyl-1)-chroman-4,7-diol and 1-(4-hydroxyphenyl)-2-(piperidinyl-1)-alkanol derivatives | PFIZER INC. (US) | 2000-04-04 | — | — | US | disclosed |