Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.38 |
| ▸ | BAD | Q92934 | 1/20 | 0.38 |
| ▸ | CDK4 | P11802 | 1/20 | 0.37 |
| ▸ | CCND1 | P24385 | 1/20 | 0.37 |
| ▸ | TYMS | P04818 | 1/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27343325 | 0.85 | KIF11 (0.45) | KIF11BCL2L1BADBRD4ALDH1A1 | |
| SCHEMBL27722494 | 0.81 | KIF11 (0.45) | KIF11BCL2L1BADCDK4CCND1 | |
| SCHEMBL28111291 | 0.81 | ALDH1A1 (0.48) | KIF11BCL2L1BADALDH1A1CYP2A6 | |
| SCHEMBL27601812 | 0.81 | ALDH1A1 (0.53) | KIF11BCL2L1BADALDH1A1CYP2A6 | |
| O-Xylene SCHEMBL28152432 | 0.80 | ALDH1A1 (0.49) | KIF11ALDH1A1CYP2A6CYP1A2TSHR | |
| SCHEMBL28159978 | 0.79 | KIF11 (0.42) | KIF11BCL2L1BADCDK4CCND1 | |
| SCHEMBL28235927 | 0.78 | KIF11 (0.42) | KIF11BCL2L1BADBRD4ALDH1A1 | |
| SCHEMBL27288088 | 0.77 | KIF11 (0.47) | KIF11BCL2L1BADCDK4CCND1 | |
| SCHEMBL30928215 | 0.75 | HPRT1 (0.54) | KIF11ALDH1A1CYP2A6CYP1A2TSHR | |
| SCHEMBL21176632 | 0.75 | HPRT1 (0.54) | KIF11ALDH1A1CYP2A6CYP1A2TSHR |
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-105143230-B | Tricyclic compound for suppressing CFTR passages | 诺华股份有限公司 | 2017-06-09 | — | — | CN | disclosed |