Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 11/20 | 0.64 |
| ▸ | AKR1C2 | P52895 | 11/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL18087540 | 0.86 | AKR1C3 (0.63) | AKR1C3AKR1C2ALOX5ABCB1HTT | |
| SCHEMBL6931615 | 0.84 | HTT (0.63) | AKR1C3AKR1C2KDM4EALOX5ABCB1 | |
| SCHEMBL20472134 | 0.84 | AKR1C3 (0.61) | AKR1C3AKR1C2ALOX5ABCB1HTT | |
| SCHEMBL9490716 | 0.84 | ALOX5 (0.63) | AKR1C3AKR1C2KDM4EALOX5HTT | |
| SCHEMBL1607798 | 0.83 | AKR1C3 (0.64) | AKR1C3AKR1C2KDM4EALOX5HTT | |
| SCHEMBL16710354 | 0.82 | AKR1C3 (0.59) | AKR1C3AKR1C2ALOX5ABCB1HTT | |
| SCHEMBL6932461 | 0.82 | AKR1C3 (0.59) | AKR1C3AKR1C2KDM4EALOX5ABCB1 | |
| SCHEMBL18084816 | 0.82 | AKR1C3 (0.59) | AKR1C3AKR1C2ALOX5ABCB1HTT | |
| SCHEMBL1607722 | 0.81 | AKR1C3 (0.57) | AKR1C3AKR1C2KDM4EALOX5ABCB1 | |
| SCHEMBL1665010 | 0.80 | AKR1C3 (0.56) | AKR1C3AKR1C2KDM4EABCB1HTT |
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-2017004730-A1 | PESTICIDE COMPOSITION COMPRISING TWO ACETYLATED COMPOUNDS OF PRENYLATED HYDROQUINONE AND ORCINOL COMPOUNDS AND USE THEREOF AS FUNGICIDES IN CONTROLLING BOTRYTIS CINEREA | UNIVERSIDAD TÉCNICA FEDERICO SANTA MARÍA (CL) | 2017-01-12 | — | — | WO | disclosed |