Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.68 |
| ▸ | CES1 | P23141 | 1/20 | 0.68 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 2/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | HSD11B2 | P80365 | 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 | |
|---|---|---|---|---|
| SCHEMBL10977247 | 1.00 | CES2 (0.68) | CES2CES1HDAC8HDAC6NOS2 | |
| SCHEMBL28876106 | 0.97 | CES2 (0.63) | CES2CES1HDAC8HDAC6NOS2 | |
| SCHEMBL30636371 | 0.92 | — | — | |
| SCHEMBL2468568 | 0.85 | — | — | |
| SCHEMBL8709138 | 0.82 | CES2 (1.00) | CES2CES1HDAC8HDAC6EPHX1 | |
| SCHEMBL5258023 | 0.82 | CES2 (1.00) | CES2CES1HDAC8HDAC6EPHX1 | |
| SCHEMBL3071715 | 0.82 | CES2 (1.00) | CES2CES1HDAC8HDAC6EPHX1 | |
| SCHEMBL11839162 | 0.82 | CES2 (1.00) | CES2CES1HDAC8HDAC6EPHX1 | |
| SCHEMBL8795663 | 0.79 | CES2 (0.93) | CES2CES1HDAC8HDAC6EPHX1 | |
| SCHEMBL3628621 | 0.78 | CES2 (0.68) | CES2CES1HDAC8HDAC6NOS2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4161491-A | Process for the production of alpha-ketocarboxylic acid amides and cycloaliphatic products | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) | 1979-07-17 | — | — | US | disclosed |