Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPY5R | Q15761 | 4/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27917602 | 0.82 | ALKBH5 (0.45) | MAPTTSHRKDM4EALDH1A1LMNA | |
| SCHEMBL27979711 | 0.82 | ALDH1A1 (0.45) | MAPTTSHRTDP1MEN1KMT2A | |
| SCHEMBL27917555 | 0.80 | PTGER4 (0.46) | MAPTTSHRMAPK1CASP1CASP7 | |
| SCHEMBL28377600 | 0.77 | CXCR4 (0.36) | MAPTTSHRMAPK1CASP1CASP7 | |
| SCHEMBL27939722 | 0.76 | CYP19A1 (0.50) | MAPTTSHRMAPK1TDP1MEN1 | |
| SCHEMBL27979727 | 0.76 | MAPT (0.40) | MAPTTSHRMAPK1CASP1CASP7 | |
| SCHEMBL28802124 | 0.75 | PTGER4 (0.44) | MAPTPTGER4MEN1KMT2AKDM4E | |
| SCHEMBL27921223 | 0.75 | PGR (0.47) | KDM4EALDH1A1POLBLMNAHPGD | |
| SCHEMBL27979879 | 0.75 | MEN1 (0.45) | MAPTTSHRMAPK1CASP1CASP7 | |
| SCHEMBL27939731 | 0.73 | SIGMAR1 (0.46) | MEN1KMT2AKDM4EALDH1A1POLB |
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 |