Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | 0.84 | TRPA1 (0.50) | SLC6A2SLC6A4SLC6A3ALDH1A1TRPA1 | |
| SCHEMBL3113885 | 0.82 | KEAP1 (0.38) | TAAR1ALDH1A1TRPA1TSHRIDO1 | |
| SCHEMBL3105632 | 0.82 | IDO1 (0.36) | SLC6A2SLC6A4SLC6A3TAAR1ALDH1A1 | |
| SCHEMBL3098973 | 0.79 | ALDH1A1 (0.40) | TAAR1ALDH1A1TRPA1TSHRHTR2A | |
| SCHEMBL3103812 | 0.78 | SLC6A2 (0.37) | SLC6A2SLC6A4SLC6A3ALDH1A1TRPA1 | |
| SCHEMBL7536 | 0.78 | — | — | |
| SCHEMBL7187315 | 0.78 | CYP2A6 (0.53) | SLC6A2SLC6A4SLC6A3ALDH1A1TSHR | |
| Bromide SCHEMBL29227177 | 0.75 | ALDH1A1 (0.50) | TAAR1ALDH1A1TRPA1TSHRHTR2A | |
| SCHEMBL5389732 | 0.75 | ALDH1A1 (0.50) | TAAR1ALDH1A1TRPA1TSHRHTR2A | |
| Fluoride SCHEMBL29026731 | 0.75 | ALDH1A1 (0.50) | TAAR1ALDH1A1TRPA1TSHRHTR2A |
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 |