Known targets — ChEMBL curated mechanism
823298382338688239847Rdl1Rdl2Rdl3
The experimentally established mechanism targets of Decoquinate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 6/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Decoquinate SCHEMBL43853 | 0.95 | DPP4 (0.46) | DPP4ESR1NPC1LMNARAB9A | |
| Decoquinate SCHEMBL29373625 | 0.95 | DPP4 (0.46) | DPP4ESR1NPC1LMNARAB9A | |
| Decoquinate SCHEMBL14247781 | 0.93 | DPP4 (0.44) | DPP4ESR1NPC1LMNARAB9A | |
| Decoquinate SCHEMBL14247780 | 0.92 | DPP4 (0.44) | DPP4ESR1NPC1LMNARAB9A | |
| Decoquinate SCHEMBL15152849 | 0.84 | LMNA (0.47) | DPP4NPC1LMNARAB9AHSD17B10 | |
| SCHEMBL7071545 | 0.84 | PTPN11 (0.45) | HSD17B10ALDH1A1 | |
| SCHEMBL28319922 | 0.81 | DPP4 (0.61) | DPP4LMNARAB9AMAPTALDH1A1 | |
| SCHEMBL27768228 | 0.80 | PTPN11 (0.45) | NPC1LMNARAB9AHSD17B10MAPT | |
| SCHEMBL29409636 | 0.79 | DPP4 (0.53) | DPP4MAPTNPSR1GAATHRB | |
| SCHEMBL22589588 | 0.79 | DPP4 (0.53) | DPP4MAPTNPSR1GAATHRB |
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-0277039-A2 | Electrophotograhic plate by use of metal naphthalocyanine derivative | Hitachi Chemical Co., Ltd. (JP) | 1988-08-03 | — | — | EP | disclosed |