Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 5/20 | 0.36 |
| ▸ | TDO2 | P48775 | 2/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | AGXT | P21549 | 2/20 | 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 | 0.82 | TRPA1 (0.50) | SLC6A2SLC6A4SLC6A3TRPA1ALDH1A1 | |
| SCHEMBL3105616 | 0.82 | SLC6A2 (0.37) | IDO1SLC6A2SLC6A4SLC6A3TAAR1 | |
| SCHEMBL3113885 | 0.81 | KEAP1 (0.38) | IDO1DAOTAAR1TRPA1ALDH1A1 | |
| SCHEMBL3103451 | 0.79 | IDO1 (0.41) | IDO1TDO2LOXL2TAAR1TRPA1 | |
| SCHEMBL3111831 | 0.79 | CYP19A1 (0.32) | IDO1TDO2SLC6A4SLC6A3DAO | |
| SCHEMBL5110 | 0.78 | — | — | |
| SCHEMBL15233233 | 0.78 | — | — | |
| SCHEMBL4427290 | 0.78 | IDO1 (0.46) | IDO1TDO2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1835628 | 0.76 | IDO1 (0.50) | IDO1LOXL2TAAR1TRPA1ALDH1A1 | |
| SCHEMBL22165011 | 0.76 | IDO1 (0.50) | IDO1LOXL2TAAR1TRPA1ALDH1A1 |
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 |