Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | GABRP | O00591 | 2/20 | 0.44 |
| ▸ | GABRD | O14764 | 2/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.44 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.44 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.44 |
| ▸ | GABRE | P78334 | 2/20 | 0.44 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.44 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.44 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.44 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27979704 | 0.81 | MEN1 (0.48) | MAPTHPGDMEN1HTTKMT2A | |
| SCHEMBL2459822 | 0.81 | PTGER4 (0.59) | KDM4EMAPTALDH1A1HPGDHSD17B10 | |
| SCHEMBL27979932 | 0.79 | CNR2 (0.56) | ALDH1A1PTGER4 | |
| SCHEMBL27979719 | 0.77 | ALDH1A1 (0.52) | KDM4EMAPTALDH1A1HPGDHSD17B10 | |
| SCHEMBL3337353 | 0.77 | GPR3 (0.57) | GPR3KDM4EMAPTGABRPGABRD | |
| SCHEMBL27979723 | 0.76 | CYP19A1 (0.57) | KDM4EMAPTALDH1A1HPGDHSD17B10 | |
| SCHEMBL3339641 | 0.76 | GPR3 (0.55) | GPR3KDM4EMAPTGABRPGABRD | |
| SCHEMBL27979888 | 0.76 | GPR3 (0.55) | GPR3KDM4EMAPTGABRPGABRD | |
| SCHEMBL27979880 | 0.74 | SIGMAR1 (0.45) | PTGER4 | |
| SCHEMBL23373487 | 0.74 | GPR3 (0.53) | GPR3KDM4EMAPTGABRPGABRD |
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 |