Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Traxoprodil. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B known ✓ | Q13224 | 6/20 | 1.00 |
| ▸ | GRIN1 known ✓ | Q05586 | 4/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 3/20 | 1.00 |
| ▸ | GRIN2D | O15399 | 3/20 | 1.00 |
| ▸ | GRIN2A | Q12879 | 3/20 | 1.00 |
| ▸ | GRIN2C | Q14957 | 3/20 | 1.00 |
| ▸ | GRIN3B | O60391 | 2/20 | 1.00 |
| ▸ | KCNH2 | Q12809 | 2/20 | 1.00 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 1.00 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.59 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.59 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.59 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.59 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.55 |
| ▸ | HTR2A | P28223 | 4/20 | 0.55 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.55 |
| ▸ | HTR2B | P41595 | 3/20 | 0.55 |
| ▸ | HTR1A | P08908 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Traxoprodil SCHEMBL5888841 | 1.00 | GRIN2B (1.00) | GRIN2BGRIN1CYP2D6GRIN2DGRIN2A | |
| Traxoprodil SCHEMBL6800343 | 1.00 | GRIN2B (1.00) | GRIN2BGRIN1CYP2D6GRIN2DGRIN2A | |
| Traxoprodil SCHEMBL4248 | 1.00 | GRIN2B (1.00) | GRIN2BGRIN1CYP2D6GRIN2DGRIN2A | |
| Traxoprodil SCHEMBL6702711 | 1.00 | GRIN2B (1.00) | GRIN2BGRIN1CYP2D6GRIN2DGRIN2A | |
| Traxoprodil SCHEMBL5517640 | 1.00 | GRIN2B (1.00) | GRIN2BGRIN1CYP2D6GRIN2DGRIN2A | |
| Traxoprodil SCHEMBL8867900 | 0.99 | GRIN2B (0.97) | GRIN2BGRIN1CYP2D6GRIN2DGRIN2A | |
| Traxoprodil SCHEMBL8922418 | 0.99 | GRIN2B (0.97) | GRIN2BGRIN1CYP2D6GRIN2DGRIN2A | |
| Traxoprodil SCHEMBL8867888 | 0.99 | GRIN2B (0.97) | GRIN2BGRIN1CYP2D6GRIN2DGRIN2A | |
| Traxoprodil SCHEMBL27536541 | 0.93 | GRIN2B (0.86) | GRIN2BGRIN1CYP2D6GRIN2DGRIN2A | |
| Traxoprodil SCHEMBL7613753 | 0.93 | GRIN2B (0.86) | GRIN2BGRIN1CYP2D6GRIN2DGRIN2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1615861-A | (1s,2s)-1-(4-hydroxyphenyl)-2-(4-hydroxy-4-phenylipiperidin-1-yl)-1-propanolmethanesulfonate trihydrate | PFIZER (US) | 2005-05-18 | — | — | CN | disclosed |
| WO-2004039371-A2 | COMPOSITIONS OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS AND NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF NEUROPATHIC PAIN | PHARMACIA CORPORATION (US) | 2004-05-13 | — | — | WO | disclosed |
| CN-1198739-A | (1S,2S) -1- (4-hydroxyphenyl) -2- (4-hydroxy-4-phenylpiperidin-1-yl) -1-propanol mesylate trihydrate | PFIZER (US) | 1998-11-11 | — | — | CN | disclosed |