Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.49 |
| ▸ | CES1 | P23141 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MGLL | Q99685 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | GRM5 | P41594 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.43 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL12023170 | 0.93 | CDK5 (0.47) | HSD11B1CES2CES1KMT2AMEN1 | |
| SCHEMBL3957507 | 0.93 | CDK5 (0.47) | HSD11B1CES2CES1KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL5476502 | 0.91 | CDK5 (0.47) | HSD11B1CES2CES1KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL5476506 | 0.91 | CDK5 (0.47) | HSD11B1CES2CES1KMT2AMEN1 | |
| SCHEMBL11620780 | 0.90 | HSD11B1 (0.56) | HSD11B1CES2CES1KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL15566694 | 0.89 | KMT2A (0.55) | HSD11B1CES2CES1KMT2AMEN1 | |
| SCHEMBL9923375 | 0.89 | CES2 (0.53) | HSD11B1CES2CES1KMT2AMEN1 | |
| SCHEMBL2146518 | 0.82 | MEN1 (0.54) | HSD11B1KMT2AMEN1MGLLCYP2D6 | |
| SCHEMBL407286 | 0.82 | KMT2A (0.53) | HSD11B1KMT2AMEN1MGLLCYP2D6 | |
| SCHEMBL30577937 | 0.81 | PARP1 (0.43) | KMT2AMEN1PARP1CYP2D6 |
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-2011088045-A1 | AURORA KINASE COMPOUNDS AND METHODS OF THEIR USE | AMBIT BIOSCIENCES CORPORATION (US) | 2011-07-21 | — | — | WO | disclosed |