Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | SRC | P12931 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL974061 | 0.75 | SRC (0.52) | CES2CES1SRCCYP2D6LMNA | |
| SCHEMBL83160 | 0.74 | KMT2A (0.46) | CES2CES1SRCCYP2D6KMT2A | |
| SCHEMBL297154 | 0.72 | IDO1 (0.46) | SRCCYP2D6LMNAMAPK1DPP4 | |
| SCHEMBL1357237 | 0.72 | SLC6A4 (0.41) | CES2CES1SRCCYP2D6LMNA | |
| SCHEMBL10583878 | 0.72 | ALDH1A1 (0.56) | CES2CES1SRCCYP2D6LMNA | |
| SCHEMBL27790606 | 0.72 | ALDH1A1 (0.52) | CES2CES1SRCCYP2D6LMNA | |
| SCHEMBL27787317 | 0.70 | LMNA (0.44) | CES2CES1SRCCYP2D6LMNA | |
| SCHEMBL4025487 | 0.70 | ALDH1A1 (0.43) | CES2CES1SRCCYP2D6LMNA | |
| SCHEMBL8916696 | 0.70 | ALDH1A1 (0.65) | CES2CES1LMNAKMT2ATDP1 | |
| SCHEMBL8467712 | 0.70 | CES2 (0.43) | CES2CES1SRCCYP2D6LMNA |
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-1717226-B1 | 2,7-SUBSTITUTED 5-AMINO-4-HYDROXY-8-(1H-INDOL-5-YL)-OCTAN AMIDE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION | SPEEDEL EXPERIMENTA AG (CH) | 2009-01-21 | — | — | EP | claimed |