Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.52 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.50 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.50 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.49 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.48 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HTR3A | P46098 | 1/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9265296 | 0.98 | TAAR1 (0.50) | TAAR1CYP4F2CYP4A11F2RL1ADRB2 | |
| SCHEMBL22922181 | 0.90 | CYP4F2 (0.59) | CYP4F2CYP4A11F2RL1ADRB2ADRB1 | |
| SCHEMBL223653 | 0.89 | CYP4F2 (0.50) | CYP4F2CYP4A11F2RL1ADRB2ADRB1 | |
| SCHEMBL2851609 | 0.89 | LOXL2 (0.56) | CYP4F2CYP4A11F2RL1ADRB2ADRB1 | |
| Hydrochloric Acid SCHEMBL10869249 | 0.87 | TAAR1 (0.47) | TAAR1CYP4F2CYP4A11MAOBKDM4E | |
| Hydrochloric Acid SCHEMBL7282073 | 0.87 | CYP4F2 (0.49) | CYP4F2CYP4A11F2RL1ADRB2ADRB1 | |
| Hydrochloric Acid SCHEMBL926987 | 0.87 | LOXL2 (0.55) | CYP4F2CYP4A11F2RL1ADRB2ADRB1 | |
| SCHEMBL11131194 | 0.86 | CYP4A11 (0.45) | CYP4F2CYP4A11F2RL1ADRB2ADRB1 | |
| SCHEMBL8735781 | 0.85 | CYP4F2 (0.70) | TAAR1CYP4F2CYP4A11MAOBALDH1A1 | |
| Hydrochloric Acid SCHEMBL29112535 | 0.84 | SIRT2 (0.53) | TAAR1CYP4F2CYP4A11ALDH1A1KDM4E |
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-106977425-B | Hydroxamic acid derivs and the preparation method and application thereof with dnmt rna and histon deacetylase (HDAC) inhibitory activity | 清华大学深圳研究生院 | 2019-07-19 | — | — | CN | disclosed |
| CN-106977425-A | Hydroxamic acid derivs with dnmt rna and histon deacetylase (HDAC) inhibitory activity and preparation method and application | 清华大学深圳研究生院 | 2017-07-25 | — | — | CN | disclosed |