Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 12/20 | 0.60 |
| ▸ | CES1 | P23141 | 11/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6647621 | 0.83 | LMNA (0.57) | CES2CES1RAB9AMEN1KMT2A | |
| SCHEMBL14419055 | 0.82 | ALDH1A1 (0.59) | CES2CES1RAB9AHDAC1HDAC6 | |
| SCHEMBL1353124 | 0.79 | HDAC1 (0.50) | CES2CES1RAB9AHDAC1HDAC6 | |
| SCHEMBL11797875 | 0.79 | CES2 (0.71) | CES2CES1RAB9AKMT2AKDM4E | |
| SCHEMBL1195835 | 0.78 | CES2 (1.00) | CES2CES1RAB9AALDH1A1 | |
| Benzil SCHEMBL4957522 | 0.78 | CES2 (1.00) | CES2CES1RAB9AALDH1A1 | |
| SCHEMBL13885490 | 0.75 | CES2 (0.65) | CES2CES1RAB9AHDAC6HDAC3 | |
| SCHEMBL6050896 | 0.75 | CES2 (0.65) | CES2CES1RAB9AKDM4EALDH1A1 | |
| SCHEMBL1352549 | 0.75 | CES2 (1.00) | CES2CES1RAB9AKDM4EALDH1A1 | |
| SCHEMBL2836495 | 0.75 | ALDH1A1 (0.65) | CES2CES1RAB9AKDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2391623-A1 | INHIBITORS OF AKT ACTIVITY | Merck Sharp & Dohme Corp. (US) | 2011-12-07 | — | — | EP | disclosed |
| WO-2010088177-A1 | INHIBITORS OF AKT ACTIVITY | MERCK SHARP & DOHME CORP. (US) | 2010-08-05 | — | — | WO | disclosed |