Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | NAAA | Q02083 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.37 |
| ▸ | F2R | P25116 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL784986 | 0.79 | CYP2D6 (0.44) | CYP2D6EPHX1SMN1; SMN2HSD17B10NAAA | |
| SCHEMBL13939832 | 0.77 | SMN1; SMN2 (0.50) | EPHX1SMN1; SMN2HSD17B10ALDH1A1MEN1 | |
| SCHEMBL23354173 | 0.77 | CYP2D6 (0.41) | CYP2D6EPHX1SMN1; SMN2HSD17B10NAAA | |
| SCHEMBL3763770 | 0.75 | EPHX1 (0.60) | EPHX1SMN1; SMN2HSD17B10EPHX2ITGB3 | |
| SCHEMBL6062059 | 0.75 | EPHX1 (0.61) | CYP2D6EPHX1EPHX2NPC1RAB9A | |
| SCHEMBL3990546 | 0.74 | HPGD (0.53) | EPHX1SMN1; SMN2HSD17B10CES2CES1 | |
| SCHEMBL13332473 | 0.74 | HPGD (0.53) | EPHX1SMN1; SMN2HSD17B10CES2CES1 | |
| SCHEMBL2400052 | 0.74 | ALDH1A1 (0.50) | EPHX1CES2CES1HDAC8HDAC6 | |
| SCHEMBL8536055 | 0.74 | ALDH1A1 (0.50) | EPHX1CES2CES1HDAC8HDAC6 | |
| SCHEMBL1088091 | 0.73 | CES2 (0.50) | EPHX1SMN1; SMN2HSD17B10NAAACES2 |
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-0231919-A2 | N-Heterocyclic alcohol renin inhibitors | E.R. Squibb & Sons, Inc. (US) | 1987-08-12 | — | — | EP | disclosed |