Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 9/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL31666530 | 0.92 | CYP19A1 (0.48) | CYP19A1ALDH1A1LMNAHTTTAAR1 | |
| SCHEMBL3531728 | 0.75 | CYP19A1 (0.45) | CYP19A1ALDH1A1LMNAHTTTAAR1 | |
| SCHEMBL7866969 | 0.73 | ALDH1A1 (0.58) | CYP19A1ALDH1A1LMNAHTTMAPT | |
| SCHEMBL31666527 | 0.71 | CYP19A1 (0.38) | CYP19A1ALDH1A1LMNAHTTTAAR1 | |
| SCHEMBL8114936 | 0.71 | CYP19A1 (0.45) | CYP19A1ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL17162103 | 0.69 | ALDH1A1 (0.58) | ALDH1A1LMNAMAPTKMT2A | |
| SCHEMBL25289864 | 0.69 | MAPT (0.58) | CYP19A1ALDH1A1LMNAMAPTCYP1A2 | |
| SCHEMBL30498823 | 0.69 | MEN1 (0.55) | CYP19A1ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL7004393 | 0.68 | MAPT (0.56) | CYP19A1ALDH1A1LMNAHTTMAPT | |
| SCHEMBL29488734 | 0.68 | BCHE (0.47) | ALDH1A1LMNAHTTMAPTCYP1A2 |
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-2024061118-A1 | MACROCYCLIC NITROGEN-CONTAINING CROWN ETHER COMPOUND AND USE THEREOF AS PROTEIN KINASE INHIBITOR | 科辉智药生物科技（无锡）有限公司 | 2024-03-28 | — | — | WO | disclosed |