Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 6/20 | 0.60 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.53 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.51 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27891742 | 0.85 | MCL1 (0.54) | MCL1CYP19A1UTS2RSMN1; SMN2MEN1 | |
| SCHEMBL27908712 | 0.82 | DYRK1A (0.67) | MCL1CYP19A1UTS2RDYRK1AKDM4E | |
| SCHEMBL27908740 | 0.81 | ALDH1A1 (0.41) | MCL1UTS2RKDM4EHSD17B10CYP1A2 | |
| SCHEMBL27917591 | 0.81 | MCL1 (0.62) | MCL1CYP19A1UTS2RDYRK1AKDM4E | |
| SCHEMBL27908745 | 0.80 | PGR (0.49) | MCL1UTS2RDYRK1AKDM4EMEN1 | |
| SCHEMBL31402870 | 0.80 | MCL1 (0.50) | MCL1CYP19A1UTS2RDYRK1AKDM4E | |
| SCHEMBL27992426 | 0.79 | MCL1 (0.64) | MCL1CYP19A1UTS2RDYRK1AKDM4E | |
| SCHEMBL27899788 | 0.78 | MCL1 (0.63) | MCL1CYP19A1UTS2RDYRK1AKDM4E | |
| SCHEMBL31402884 | 0.78 | MCL1 (0.50) | MCL1CYP19A1UTS2RDYRK1AKDM4E | |
| SCHEMBL27891779 | 0.77 | ALKBH5 (0.49) | MCL1UTS2RDYRK1AKDM4EHSD17B10 |
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-102146080-B | Beta-carboline alkali derivative compounds and application thereof | XINJIANG HUASHIDAN PHARMACEUTICAL CO LTD | 2013-01-30 | — | — | CN | disclosed |