Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 3/20 | 0.41 |
| ▸ | CES1 | P23141 | 3/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | IDH1 | O75874 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.33 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | SLC22A2 | O15244 | 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 | |
|---|---|---|---|---|
| SCHEMBL13496520 | 0.90 | CALM1 (0.55) | TRPA1ALDH1A1TSHRCALM1CES2 | |
| SCHEMBL3105616 | 0.84 | SLC6A2 (0.37) | TRPA1ALDH1A1TSHRSLC6A2SLC6A4 | |
| SCHEMBL3105632 | 0.82 | IDO1 (0.36) | TRPA1ALDH1A1TSHRSLC6A2SLC6A4 | |
| SCHEMBL3113885 | 0.82 | KEAP1 (0.38) | TRPA1ALDH1A1TSHRLTA4HKEAP1 | |
| SCHEMBL3105969 | 0.81 | ADRB1 (0.35) | ALDH1A1LTA4H | |
| SCHEMBL712948 | 0.80 | TRPA1 (0.78) | TRPA1ALDH1A1TSHRCALM1CES2 | |
| SCHEMBL3108222 | 0.79 | TSHR (0.59) | TRPA1ALDH1A1TSHRCES2CES1 | |
| SCHEMBL12880577 | 0.78 | CES2 (0.48) | TRPA1TSHRCES2CES1HTR2A | |
| SCHEMBL67123 | 0.75 | CES2 (0.50) | TRPA1TSHRCES2CES1SLC6A2 | |
| SCHEMBL5885289 | 0.75 | ALDH1A1 (0.56) | TRPA1ALDH1A1TSHRCALM1CES2 |
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 |