Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.46 |
| ▸ | TNF | P01375 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL27979721 | 0.90 | MEN1 (0.55) | CYP19A1SMN1; SMN2MEN1KMT2AKDM4E | |
| SCHEMBL27891716 | 0.86 | CYP19A1 (0.56) | CYP19A1SMN1; SMN2MEN1KMT2AMAPK1 | |
| SCHEMBL27979927 | 0.85 | SIGMAR1 (0.47) | CYP19A1SMN1; SMN2MEN1KMT2AMCL1 | |
| SCHEMBL27979724 | 0.83 | CYP19A1 (0.49) | CYP19A1SMN1; SMN2MEN1KMT2AMAPK1 | |
| SCHEMBL27979861 | 0.83 | CYP19A1 (0.51) | CYP19A1SMN1; SMN2MEN1KMT2AMAPK1 | |
| SCHEMBL27908741 | 0.82 | CYP19A1 (0.50) | CYP19A1SMN1; SMN2MEN1KMT2AMAPK1 | |
| SCHEMBL27939722 | 0.82 | CYP19A1 (0.50) | CYP19A1SMN1; SMN2MEN1KMT2AMAPK1 | |
| SCHEMBL27979691 | 0.81 | ALDH1A1 (0.44) | SMN1; SMN2MEN1KMT2AKDM4ETDP1 | |
| SCHEMBL2215283 | 0.81 | CYP19A1 (0.49) | CYP19A1SMN1; SMN2MEN1KMT2AMAPK1 | |
| SCHEMBL27979694 | 0.81 | MEN1 (0.51) | CYP19A1SMN1; SMN2MEN1KMT2AMAPK1 |
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-104177377-A | 3-Position diamine beta-carboline alkali compound, and preparation method, medicinal composition and use thereof | XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD | 2014-12-03 | — | — | CN | disclosed |