Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 3/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | PLG | P00747 | 1/20 | 0.31 |
| ▸ | PLAU | P00749 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | LNPEP | Q9UIQ6 | 2/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.30 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21201010 | 0.86 | CYP19A1 (0.35) | ARCYP17A1CYP19A1KDM1AHDAC1 | |
| SCHEMBL29866369 | 0.86 | CYP19A1 (0.35) | ARCYP17A1CYP19A1KDM1AHDAC1 | |
| SCHEMBL21200362 | 0.86 | CYP19A1 (0.35) | ARCYP17A1CYP19A1KDM1AHDAC1 | |
| SCHEMBL12076114 | 0.79 | EPHX1 (0.41) | ARKDM1AHDAC1HDAC6NR3C2 | |
| SCHEMBL19514656 | 0.76 | CYP19A1 (0.53) | CYP17A1CYP19A1HDAC1HDAC6ALDH1A1 | |
| SCHEMBL27845906 | 0.75 | KDM1A (0.37) | ARKDM1AHDAC1HDAC6NR3C2 | |
| SCHEMBL28975952 | 0.75 | KDM1A (0.32) | ARKDM1AHDAC1HDAC6 | |
| SCHEMBL515036 | 0.74 | PARP1 (0.44) | ALDH1A1SMN1; SMN2HCAR2 | |
| SCHEMBL24031007 | 0.73 | PTGS2 (0.46) | ALDH1A1KDM4ESMN1; SMN2LMNAMAPT | |
| SCHEMBL25810655 | 0.73 | PTGS1 (0.47) | ARCYP19A1KDM1AHDAC1HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116600803-A | Macrocyclic urea orexin receptor agonists | 默沙东有限责任公司 | 2023-08-15 | — | — | CN | disclosed |