Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | TDO2 | P48775 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.34 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11017734 | 0.88 | SLC6A3 (0.35) | AOC3IDO1TDO2HDAC3HDAC4 | |
| SCHEMBL6187725 | 0.82 | TRPA1 (0.41) | AOC3IDO1TDO2HDAC3HDAC4 | |
| SCHEMBL19877202 | 0.82 | TRPA1 (0.41) | AOC3IDO1TDO2HDAC3HDAC4 | |
| SCHEMBL4599672 | 0.82 | TRPA1 (0.41) | AOC3IDO1TDO2HDAC3HDAC4 | |
| SCHEMBL651743 | 0.80 | TSHR (0.44) | AOC3IDO1TDO2HDAC4HDAC7 | |
| SCHEMBL537301 | 0.78 | HTR2A (0.36) | — | |
| SCHEMBL6224183 | 0.78 | ALDH1A1 (0.40) | AOC3IDO1TDO2 | |
| SCHEMBL26128508 | 0.77 | TRPA1 (0.48) | TRPA1KDM4E | |
| SCHEMBL28778319 | 0.77 | GABBR2 (0.44) | AOC3IDO1TDO2HDAC3HDAC4 | |
| SCHEMBL7982428 | 0.77 | TRPA1 (0.48) | TRPA1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-102850318-A | Novel selective 5-serotonin reuptake inhibitor and its medical use | INST PHARM & TOXICOLOGY AMMS | 2013-01-02 | — | — | CN | disclosed |
| WO-2010006954-A1 | NOVEL N-SUBSTITUTED BETA-AMINO ACID ESTERS | DSM IP ASSETS B.V. (NL) | 2010-01-21 | — | — | WO | disclosed |