Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.41 |
| ▸ | CACNA1I | Q9P0X4 | 3/20 | 0.41 |
| ▸ | FDFT1 | P37268 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.39 |
| ▸ | GMNN | O75496 | 1/20 | 0.39 |
| ▸ | HTR3B | O95264 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.39 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL4755716 | 0.94 | PDE4B (0.39) | KCNH2CACNA1IFDFT1OPRM1OPRD1 | |
| SCHEMBL4755073 | 0.84 | FDFT1 (0.39) | FDFT1OPRM1OPRD1OPRK1ADAM17 | |
| SCHEMBL4758285 | 0.81 | MAPT (0.43) | FDFT1ADAM17TSHRHSD17B10GAA | |
| SCHEMBL4757884 | 0.79 | ALDH1A1 (0.54) | ALOX15DPP4GAAMAPTALDH1A1 | |
| SCHEMBL4755037 | 0.77 | CA12 (0.42) | ALDH1A1MAPK1SMN1; SMN2NPSR1HPGD | |
| SCHEMBL4756906 | 0.73 | SLC6A2 (0.43) | HTR3A | |
| SCHEMBL17290064 | 0.70 | SLC18A3 (0.46) | TSHRHSD17B10GAASLC18A3ALDH1A1 | |
| SCHEMBL7589274 | 0.70 | CA12 (0.62) | CYP1A2CYP2D6NPSR1MEN1KMT2A | |
| SCHEMBL2662880 | 0.70 | CA12 (0.62) | CYP1A2TSHRMEN1KMT2A | |
| SCHEMBL4755119 | 0.70 | PDE4A (0.45) | TSHRGAAMAPTSMN1; SMN2 |
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-2009000819-A1 | 5-PHENYL-1,3,4-OXADIAZOL-2-YL-ACETYL-4-PIPERIDINYL DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2008-12-31 | — | — | WO | disclosed |
| WO-2009000819-A1 | 5-PHENYL-1,3,4-OXADIAZOL-2-YL-ACETYL-4-PIPERIDINYL DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2008-12-31 | — | — | WO | disclosed |