Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4032454 | 1.00 | PTGS2 (0.56) | PTGS2RECQLGLO1APPMAPT | |
| SCHEMBL11685334 | 0.84 | PTGS2 (0.55) | PTGS2APPMAPTAKR1C3NQO2 | |
| SCHEMBL28251651 | 0.84 | PTGS2 (0.52) | PTGS2APPMAPTAKR1C3 | |
| SCHEMBL1915834 | 0.83 | RECQL (0.69) | RECQLMAPTAKR1C3 | |
| SCHEMBL1915838 | 0.83 | RECQL (0.69) | RECQLMAPTAKR1C3 | |
| SCHEMBL1915837 | 0.83 | RECQL (0.69) | RECQLMAPTAKR1C3 | |
| SCHEMBL27725356 | 0.82 | RECQL (0.58) | PTGS2RECQL | |
| SCHEMBL22231419 | 0.80 | PTGS2 (0.49) | PTGS2MAPT | |
| SCHEMBL22231431 | 0.80 | AKR1C3 (0.48) | PTGS2GLO1APPMAPTAKR1C3 | |
| SCHEMBL22231429 | 0.80 | AKR1C3 (0.48) | PTGS2GLO1APPMAPTAKR1C3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1587795-B1 | N- (1-BENZYL-2-OXO-2- (1-PIPERAZINYL) ETHYL) -1-PIPERIDINCARBOXAMID-DERIVATIVES AND RELATED COMPOUNDS USE AS CGRP-ANTAGONISTS FOR TREATING A HEADACHE | BOEHRINGER INGELHEIM INT (DE) | 2009-05-13 | — | — | EP | disclosed |