Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | FDPS | P14324 | 1/20 | 0.38 |
| ▸ | CD44 | P16070 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.30 |
| ▸ | CD274 | Q9NZQ7 | 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 | |
|---|---|---|---|---|
| SCHEMBL30912296 | 0.83 | FDPS (0.53) | TSHRCYP3A4ALDH1A1FDPSKDM4E | |
| Boric Acid SCHEMBL31037021 | 0.77 | TRPA1 (0.44) | ESR1ALDH1A1GABRA1GABRB2TRPA1 | |
| SCHEMBL29741792 | 0.76 | HSPA5 (0.39) | TSHRALDH1A1FDPSGABRA1GABRB2 | |
| SCHEMBL635759 | 0.72 | CYP3A4 (0.56) | TSHRCYP3A4PIK3CAESR1KCNH2 | |
| SCHEMBL840872 | 0.72 | CYP3A4 (0.62) | TSHRCYP3A4PIK3CAESR1KCNH2 | |
| Hydrochloric Acid SCHEMBL10983053 | 0.71 | CYP3A4 (0.54) | TSHRCYP3A4PIK3CAESR1KCNH2 | |
| SCHEMBL7406902 | 0.70 | CYP3A4 (0.59) | TSHRCYP3A4PIK3CAESR1KCNH2 | |
| SCHEMBL5929976 | 0.70 | CYP3A4 (0.59) | TSHRCYP3A4PIK3CAESR1KCNH2 | |
| SCHEMBL3341757 | 0.69 | CYP3A4 (0.52) | TSHRCYP3A4PIK3CAESR1KCNH2 | |
| SCHEMBL25259982 | 0.69 | CYP3A4 (0.56) | TSHRCYP3A4PIK3CAESR1KCNH2 |
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-116082216-A | 3-aryl indole KDM1A/HDACs double-target inhibitor, and preparation method and application thereof | 阜外华中心血管病医院 | 2023-05-09 | — | — | CN | disclosed |