Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4743218 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL10568119 | 0.72 | CYP2D6 (0.55) | CYP2D6OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL4728306 | 0.70 | CYP2D6 (0.43) | CYP2D6OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL7089368 | 0.68 | ALDH1A1 (0.39) | CYP2D6OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL9683895 | 0.66 | CYP2D6 (0.55) | CYP2D6OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL84798 | 0.66 | CYP2D6 (0.46) | CYP2D6OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL85400 | 0.66 | CYP2D6 (0.46) | CYP2D6OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL2337932 | 0.65 | CYP2D6 (0.65) | CYP2D6OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL4922997 | 0.65 | LMNA (0.55) | CYP2D6OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL7291562 | 0.65 | LMNA (0.55) | CYP2D6OPRM1OPRD1OPRK1OPRL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008109287-A1 | METHODS FOR TREATING COGNITIVE DISORDERS USING 1-BENZYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS | ALLERGAN, INC. (US) | 2008-09-12 | — | — | WO | disclosed |
| WO-2008011487-A2 | L-BENZYL-L-HYDR0XY-2, 3-DIAMIN0-PROPYL AMINES AND 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONICACID AMIDES FOR CHRONIC PAIN | ALLERGAN, INC. (US) | 2008-01-24 | — | — | WO | disclosed |