Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 5/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.35 |
| ▸ | SCN1A | P35498 | 2/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.35 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | SLC10A1 | Q14973 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3094564 | 0.81 | SLC6A3 (0.58) | SLC6A2SLC6A4SLC6A3CHRM2SCN1A | |
| SCHEMBL3103812 | 0.74 | SLC6A2 (0.37) | SLC6A2SLC6A4SLC6A3CHRM2ALDH1A1 | |
| SCHEMBL4316276 | 0.73 | SLC6A2 (0.63) | SLC6A2SLC6A4SLC6A3CHRM2SCN1A | |
| SCHEMBL3111831 | 0.72 | CYP19A1 (0.32) | SLC6A4SLC6A3ALDH1A1TSHRTRPA1 | |
| SCHEMBL3103275 | 0.72 | SLC5A2 (0.33) | SLC6A2SLC6A4SLC6A3ALDH1A1CYP2D6 | |
| SCHEMBL11719471 | 0.72 | SLC6A2 (0.46) | SLC6A2SLC6A4SLC6A3CHRM2SCN1A | |
| SCHEMBL15389994 | 0.71 | TRPA1 (0.52) | ALDH1A1CYP1A2TSHRTRPA1 | |
| SCHEMBL7556197 | 0.69 | TRPA1 (0.59) | ALDH1A1TSHRTRPA1 | |
| SCHEMBL3049830 | 0.69 | SLC6A2 (0.54) | SLC6A2SLC6A4SLC6A3CHRM2SCN1A | |
| SCHEMBL29914092 | 0.69 | SLC6A2 (0.54) | SLC6A2SLC6A4SLC6A3CHRM2SCN1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2163553-B1 | ARENE CONNECTED POLYAMINE MACRORING DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF | BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO LTD (CN) | 2013-12-25 | — | — | EP | disclosed |
| EP-2163553-A1 | ARENE CONNECTED POLYAMINE MACRORING DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF | Beijing Molecule Science and Technology Co., Ltd. (CN) | 2010-03-17 | — | — | EP | disclosed |