Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | PNMT | P11086 | 2/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | ACP3 | P15309 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 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 | |
|---|---|---|---|---|
| SCHEMBL3107946 | 0.81 | TRPA1 (0.50) | ALDH1A1LTA4H | |
| SCHEMBL3110394 | 0.80 | PNMT (0.37) | SLC2A1PNMTTAAR1AOC3ACP3 | |
| SCHEMBL17061793 | 0.79 | ACP3 (0.46) | PNMTAOC3ACP3IDO1TDO2 | |
| SCHEMBL7521832 | 0.77 | ACP3 (0.50) | ADRB1ADRB3ACP3IDO1TDO2 | |
| SCHEMBL3105616 | 0.74 | SLC6A2 (0.37) | TAAR1IDO1ALDH1A1 | |
| SCHEMBL3113885 | 0.73 | KEAP1 (0.38) | TAAR1IDO1ALDH1A1LTA4H | |
| SCHEMBL3105632 | 0.73 | IDO1 (0.36) | TAAR1IDO1TDO2ALDH1A1 | |
| SCHEMBL3103812 | 0.72 | SLC6A2 (0.37) | ALDH1A1 | |
| SCHEMBL13496520 | 0.72 | CALM1 (0.55) | ALDH1A1LTA4H | |
| SCHEMBL3107011 | 0.71 | TSHR (0.42) | PNMTTAAR1AOC3ACP3IDO1 |
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 |