Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Ether. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPY5R | Q15761 | 2/20 | 0.55 |
| ▸ | PDE5A | O76074 | 1/20 | 0.54 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 6/20 | 0.52 |
| ▸ | GAA | P10253 | 4/20 | 0.52 |
| ▸ | TP53 | P04637 | 3/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | HTR2A | P28223 | 2/20 | 0.50 |
| ▸ | NPY1R | P25929 | 1/20 | 0.50 |
| ▸ | NPY2R | P49146 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8901627 | 0.85 | NPY5R (0.72) | NPY5RPDE5AABCG2MAPTGAA | |
| Hydrochloric Acid SCHEMBL8891614 | 0.84 | NPY5R (0.70) | NPY5RPDE5AABCG2MAPTGAA | |
| SCHEMBL3108340 | 0.81 | KMT2A (0.65) | NPY5RABCG2MAPTGAATP53 | |
| SCHEMBL2257238 | 0.78 | NPY5R (0.66) | NPY5RPDE5AABCG2MAPTPOLB | |
| SCHEMBL30960995 | 0.78 | NPY5R (0.66) | NPY5RPDE5AABCG2MAPTPOLB | |
| SCHEMBL2231403 | 0.77 | NPY5R (0.68) | NPY5RPDE5AABCG2MAPTTP53 | |
| SCHEMBL3119002 | 0.77 | NPY5R (0.71) | NPY5RABCG2MAPTTP53POLB | |
| SCHEMBL3117103 | 0.77 | KMT2A (0.52) | NPY5RABCG2MAPTGAATP53 | |
| SCHEMBL27858013 | 0.75 | ABCG2 (0.73) | PDE5AABCG2MAPTGAATP53 | |
| SCHEMBL3119082 | 0.75 | KDR (0.63) | NPY5RPDE5AABCG2MAPTGAA |
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-1997020821-A1 | HETEROARYL DERIVATIVES | NOVARTIS AG (CH) | 1997-06-12 | — | — | WO | disclosed |