Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 1/20 | 0.53 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | GFER | P55789 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
| ▸ | CTSG | P08311 | 1/20 | 0.42 |
| ▸ | CMA1 | P23946 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1161121 | 0.89 | CYP4F2 (0.63) | CYP4F2CYP4A11ALDH1A1GAAGFER | |
| Hydrochloric Acid SCHEMBL6801556 | 0.88 | CYP4F2 (0.61) | CYP4F2CYP4A11ALDH1A1GAAGFER | |
| SCHEMBL7996038 | 0.83 | CYP4F2 (0.56) | CYP4F2CYP4A11ALDH1A1GAAGFER | |
| SCHEMBL15522658 | 0.81 | CYP4A11 (0.64) | CYP4F2CYP4A11ALDH1A1GAAGFER | |
| SCHEMBL9251607 | 0.81 | CYP4F2 (0.42) | CYP4F2CYP4A11ALDH1A1GAAGFER | |
| SCHEMBL15285573 | 0.80 | TSHR (0.54) | ALDH1A1GAASMN1; SMN2MMP9MAPT | |
| SCHEMBL4113212 | 0.80 | CYP4F2 (0.76) | CYP4F2CYP4A11ALDH1A1GAAGFER | |
| SCHEMBL16092812 | 0.77 | CYP4F2 (0.58) | CYP4F2CYP4A11ALDH1A1GAAGFER | |
| Sulfuric Acid SCHEMBL4181579 | 0.77 | IDO1 (0.49) | CYP4F2CYP4A11ALDH1A1GFERLMNA | |
| SCHEMBL16092813 | 0.76 | CYP4F2 (0.56) | CYP4F2CYP4A11ALDH1A1GAAGFER |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003051909-A2 | PROCESS FOR THE MANUFACTURE OF PHARMACEUTICALLY ACCEPTABLE SALTS OF A COMPOUND | ASTRAZENECA AB (SE) | 2003-06-26 | — | — | WO | disclosed |