Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | TTR | P02766 | 1/20 | 0.50 |
| ▸ | DPP4 | P27487 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | FDPS | P14324 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4755061 | 1.00 | PTGS2 (0.53) | PTGS2CYP3A4CA12CA1CA2 | |
| SCHEMBL13985071 | 0.89 | PTGS2 (0.53) | PTGS2CYP3A4CA12CA1CA2 | |
| SCHEMBL8937530 | 0.88 | CYP3A4 (0.59) | PTGS2CYP3A4CA12CA1CA2 | |
| SCHEMBL8937527 | 0.88 | CYP3A4 (0.59) | PTGS2CYP3A4CA12CA1CA2 | |
| SCHEMBL29944874 | 0.82 | CA12 (0.50) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL27030501 | 0.82 | CA12 (0.50) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL2662880 | 0.79 | CA12 (0.62) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL7589274 | 0.79 | CA12 (0.62) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL15456688 | 0.78 | CYP3A4 (0.49) | PTGS2CYP3A4CA12CA1CA2 | |
| SCHEMBL17269622 | 0.77 | CA12 (0.71) | PTGS2CYP3A4CA12CA1CA2 |
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 1 patent. 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 |