Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.68 |
| ▸ | ENTPD5 | O75356 | 1/20 | 0.54 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.43 |
| ▸ | RPS6KA5 | O75582 | 4/20 | 0.41 |
| ▸ | MAPKAPK2 | P49137 | 4/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 5/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.37 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.36 |
| ▸ | PNLIP | P16233 | 1/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL25060244 | 1.00 | ALDH1A1 (0.68) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL13206601 | 1.00 | ALDH1A1 (0.68) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL13223919 | 0.81 | ALDH1A1 (1.00) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL9880769 | 0.81 | ALDH1A1 (1.00) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL12794189 | 0.81 | ALDH1A1 (1.00) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL9400263 | 0.81 | ALDH1A1 (1.00) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL1094480 | 0.81 | ALDH1A1 (1.00) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL14029401 | 0.81 | ALDH1A1 (1.00) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL17030368 | 0.81 | ALDH1A1 (1.00) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL13206588 | 0.81 | ALDH1A1 (1.00) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-20230212624-A1 | METHOD FOR PURIFYING (-)-AMBROX | GIVAUDAN SA (CH) | 2023-07-06 | — | — | US | disclosed |
| WO-2015035412-A1 | CATALYST-CONTROLLED ALIPHATIC C-H OXIDATIONS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2015-03-12 | — | — | WO | disclosed |