Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | IDH1 | O75874 | 1/20 | 0.44 |
| ▸ | MIF | P14174 | 1/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.42 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | PRKDC | P78527 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | STAT1 | P42224 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL990642 | 1.00 | ALDH1A1 (0.61) | ALDH1A1CYP3A4IDH1MIFCYP4F2 | |
| SCHEMBL6709375 | 0.91 | ALDH1A1 (0.73) | ALDH1A1CYP3A4IDH1MIFHCAR2 | |
| SCHEMBL5437580 | 0.86 | ALDH1A1 (0.58) | ALDH1A1CYP3A4IDH1MIFHCAR2 | |
| SCHEMBL7671540 | 0.84 | ALDH1A1 (0.63) | ALDH1A1CYP3A4IDH1MIFHCAR2 | |
| SCHEMBL7671543 | 0.84 | ALDH1A1 (0.63) | ALDH1A1CYP3A4IDH1MIFCYP4F2 | |
| SCHEMBL16154053 | 0.84 | ALDH1A1 (0.63) | ALDH1A1CYP3A4IDH1MIFKDM4E | |
| SCHEMBL801397 | 0.84 | ALDH1A1 (0.63) | ALDH1A1CYP3A4IDH1MIFPRKDC | |
| SCHEMBL10795863 | 0.82 | ALDH1A1 (0.61) | ALDH1A1CYP3A4HCAR2MAOB | |
| SCHEMBL20083591 | 0.82 | ALDH1A1 (0.61) | ALDH1A1CYP3A4IDH1MIFHCAR2 | |
| SCHEMBL27664520 | 0.82 | ALDH1A1 (0.61) | ALDH1A1CYP3A4IDH1MIFMAOB |
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-2024199069-A1 | POLYARYL-CONTAINING MACROCYCLIC COMPOUND AND USE THEREOF | 浙江养生堂天然药物研究所有限公司 | 2024-10-03 | — | — | WO | disclosed |