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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2D known ✓ | O15399 | 1/20 | 0.51 |
| ▸ | GRIN3B known ✓ | O60391 | 1/20 | 0.51 |
| ▸ | GRIN1 known ✓ | Q05586 | 1/20 | 0.51 |
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.51 |
| ▸ | GRIN2B known ✓ | Q13224 | 1/20 | 0.51 |
| ▸ | GRIN2C known ✓ | Q14957 | 1/20 | 0.51 |
| ▸ | GRIN3A known ✓ | Q8TCU5 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.71 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL7940667 | 1.00 | CYP2D6 (0.71) | CYP2D6KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL7940717 | 0.92 | CYP2D6 (0.66) | CYP2D6KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL7940712 | 0.92 | CYP2D6 (0.66) | CYP2D6KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL6816939 | 0.92 | CYP2D6 (0.63) | CYP2D6KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL7952039 | 0.92 | CYP2D6 (0.63) | CYP2D6KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL1254548 | 0.91 | CYP2D6 (0.70) | CYP2D6KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL3392689 | 0.91 | CYP2D6 (0.70) | CYP2D6KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL7940679 | 0.90 | CYP2D6 (0.58) | CYP2D6KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL7940683 | 0.90 | CYP2D6 (0.58) | CYP2D6KCNH2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL7946764 | 0.90 | CYP2D6 (0.61) | 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 4 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 |
| EP-0777652-A1 | NEUROPROTECTIVE 3-(PIPERIDINYL-1)-CHROMAN-4,7-DIOL AND 1-(4-HYDROPHENYL)-2-(PIPERIDINYL-1)-ALKANOL DERIVATIVES | PFIZER INC. (US) | 1997-06-11 | — | — | EP | disclosed |
| WO-1996006081-A1 | NEUROPROTECTIVE 3-(PIPERIDINYL-1)-CHROMAN-4,7-DIOL AND 1-(4-HYDROPHENYL)-2-(PIPERIDINYL-1)-ALKANOL DERIVATIVES | PFIZER INC. (US) | 1996-02-29 | — | — | WO | disclosed |