Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Halostachine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | HTR1A | P08908 | 2/20 | 0.53 |
| ▸ | BLM | P54132 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.53 |
| ▸ | THPO | P40225 | 1/20 | 0.53 |
| ▸ | NMUR2 | Q9GZQ4 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.51 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.51 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.51 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Halostachine SCHEMBL210960 | 0.87 | KDM4E (0.68) | KDM4EL3MBTL1HIF1AALDH1A1HTR1A | |
| Halostachine SCHEMBL932123 | 0.87 | KDM4E (0.68) | KDM4EL3MBTL1HIF1AALDH1A1HTR1A | |
| Halostachine SCHEMBL11007060 | 0.87 | KDM4E (0.68) | KDM4EL3MBTL1HIF1AALDH1A1HTR1A | |
| Halostachine SCHEMBL5076853 | 0.87 | KDM4E (0.68) | KDM4EL3MBTL1HIF1AALDH1A1HTR1A | |
| Halostachine SCHEMBL30473042 | 0.85 | KDM4E (0.65) | KDM4EL3MBTL1HIF1AALDH1A1HTR1A | |
| Halostachine SCHEMBL5073538 | 0.82 | KDM4E (0.62) | KDM4EL3MBTL1HIF1AALDH1A1HTR1A | |
| Halostachine SCHEMBL5075636 | 0.82 | KDM4E (0.62) | KDM4EL3MBTL1HIF1AALDH1A1HTR1A | |
| Halostachine SCHEMBL18329334 | 0.82 | KDM4E (0.57) | KDM4EL3MBTL1HIF1AALDH1A1HTR1A | |
| Halostachine SCHEMBL28853304 | 0.80 | HIF1A (0.75) | KDM4EL3MBTL1HIF1AALDH1A1HTR1A | |
| SCHEMBL2294626 | 0.79 | NPC1 (0.69) | KDM4EHIF1AALDH1A1HTR1ABLM |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9526793-B1 | Salts of phenylethylamines and inorganic acids and methods of use thereof | KRAMER RONALD (US) | 2016-12-27 | — | — | US | disclosed |