Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.47 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4033203 | 0.87 | TSHR (0.62) | TSHRCYP2D6ALDH1A1NPFFR1NPFFR2 | |
| SCHEMBL3848165 | 0.81 | CYP2D6 (0.54) | TSHRCYP2D6ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL6706472 | 0.80 | TSHR (0.70) | TSHRCYP2D6ALDH1A1NPFFR1NPFFR2 | |
| SCHEMBL334893 | 0.77 | TSHR (0.55) | TSHRCYP2D6ALDH1A1NPFFR1NPFFR2 | |
| SCHEMBL4934520 | 0.75 | TSHR (0.70) | TSHRCYP2D6ALDH1A1NPFFR1NPFFR2 | |
| SCHEMBL6706403 | 0.75 | TSHR (0.80) | TSHRCYP2D6ALDH1A1NPFFR1NPFFR2 | |
| SCHEMBL3849168 | 0.74 | CYP2D6 (0.59) | TSHRCYP2D6ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL4630100 | 0.73 | TSHR (1.00) | TSHRCYP2D6ALDH1A1HRH3USP2 | |
| SCHEMBL15461513 | 0.72 | CYP2D6 (0.75) | TSHRCYP2D6ALDH1A1NPFFR1NPFFR2 | |
| SCHEMBL4942336 | 0.72 | TSHR (0.70) | TSHRCYP2D6ALDH1A1NPFFR1NPFFR2 |
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 |