Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.50 |
| ▸ | MC4R | P32245 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8786948 | 0.98 | CYP2D6 (0.48) | CYP2D6MC4RSLC6A3ALDH1A1KDM4E | |
| SCHEMBL3576037 | 0.98 | CYP2D6 (0.52) | CYP2D6MC4RSLC6A3ALDH1A1KDM4E | |
| SCHEMBL13247637 | 0.98 | CYP2D6 (0.52) | CYP2D6MC4RSLC6A3ALDH1A1KDM4E | |
| SCHEMBL16982012 | 0.85 | CYP2D6 (0.56) | CYP2D6MC4RALDH1A1MEN1NPC1 | |
| Hydrochloric Acid SCHEMBL1935939 | 0.84 | CYP2D6 (0.50) | CYP2D6MC4RLTA4HCHRM2CHRM1 | |
| SCHEMBL263756 | 0.81 | LTA4H (0.49) | CYP2D6MC4RALDH1A1NPC1RAB9A | |
| SCHEMBL3879250 | 0.80 | CYP2D6 (0.43) | CYP2D6MC4RALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL3871731 | 0.80 | CYP2D6 (0.43) | CYP2D6MC4RALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL11157003 | 0.80 | ALDH1A1 (0.56) | CYP2D6MC4RSLC6A3ALDH1A1KDM4E | |
| SCHEMBL22206739 | 0.80 | CHRM2 (0.57) | CYP2D6MC4RSLC6A3ALDH1A1KDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0832091-B1 | C-4' MODIFIED ADENOSINE KINASE INHIBITORS | GENSIA SICOR INC (US) | 2004-01-14 | — | — | EP | disclosed |
| EP-0277794-B1 | N-heterocyclic-N-(4-piperidyl) amides | OHMEDA PHARMA PROD (US) | 1994-04-20 | — | — | EP | disclosed |
| US-4900738-A | OPIOID ANTAGONISTS; REDUCE SIDE EFFECTS | BOC, INC. (US) | 1990-02-13 | — | — | US | disclosed |
| US-4791112-A | ANALGESICS, NAQRCOTIC ANTAGONISTS | THE BOC GROUP, INC. (US) | 1988-12-13 | — | — | US | disclosed |
| EP-0277794-A2 | N-heterocyclic-N-(4-piperidyl) amides | Ohmeda Pharmaceutical Products Division Inc. (US) | 1988-08-10 | — | — | EP | disclosed |