Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9039468 | 0.81 | KIF11 (0.44) | KIF11ALDH1A1ALOX15MAPK1CYP2C19 | |
| SCHEMBL28021468 | 0.79 | KIF11 (0.42) | KIF11ALDH1A1ALOX15MAPK1CYP2C19 | |
| SCHEMBL8850056 | 0.78 | KIF11 (0.52) | KIF11ALDH1A1ALOX15MAPK1CYP2C19 | |
| SCHEMBL9041026 | 0.77 | KCNN4 (0.53) | KIF11CYP2C19HIF1AHDAC6HDAC3 | |
| SCHEMBL15895163 | 0.74 | KIF11 (0.44) | KIF11ALDH1A1ALOX15MAPK1CYP2C19 | |
| SCHEMBL23440645 | 0.74 | KIF11 (0.38) | KIF11ALDH1A1ALOX15MAPK1CYP2C19 | |
| SCHEMBL20295113 | 0.74 | TSHR (0.41) | KIF11CYP2C19HIF1AHDAC6HDAC3 | |
| SCHEMBL19474691 | 0.73 | KIF11 (0.43) | KIF11ALDH1A1ALOX15MAPK1CYP2C19 | |
| SCHEMBL19504433 | 0.73 | KIF11 (0.43) | KIF11ALDH1A1ALOX15MAPK1CYP2C19 | |
| SCHEMBL12151786 | 0.73 | SLC6A11 (0.46) | KIF11ALDH1A1ALOX15MAPK1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101626683-B | Be used for the treatment of compound and the pharmaceutical composition of virus infection | IDENIX PHARMACEUTICALS, INC. (US) | 2015-08-19 | — | — | CN | disclosed |