Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CPA1 | P15085 | 2/20 | 0.39 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.39 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.39 |
| ▸ | CPB1 | P15086 | 1/20 | 0.39 |
| ▸ | CPA3 | P15088 | 1/20 | 0.39 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP12 | P39900 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | MMP14 | P50281 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL5720972 | 0.79 | GABBR2 (0.42) | CYP1A2TSHRCPA1GABBR2GABBR1 | |
| SCHEMBL5720977 | 0.79 | GABBR2 (0.42) | CYP1A2TSHRCPA1GABBR2GABBR1 | |
| SCHEMBL30556756 | 0.78 | AKR1B1 (0.45) | CYP1A2TSHRCPA1GABBR2GABBR1 | |
| SCHEMBL9579846 | 0.78 | AKR1B1 (0.45) | CYP1A2TSHRCPA1GABBR2GABBR1 | |
| SCHEMBL8771210 | 0.77 | SLC18A3 (0.46) | CYP1A2TSHRCPA1GABBR2GABBR1 | |
| SCHEMBL8770868 | 0.77 | CES2 (0.49) | CYP1A2TSHR | |
| SCHEMBL3448381 | 0.77 | CTSA (0.47) | — | |
| SCHEMBL8771196 | 0.77 | ADRB2 (0.50) | CYP2D6 | |
| SCHEMBL11397704 | 0.76 | KMT2A (0.44) | CYP1A2TSHRCPA1GABBR2GABBR1 | |
| SCHEMBL11050837 | 0.75 | CYP2D6 (0.36) | TSHRKDM4ECYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118324724-A | Multifunctional diagnosis and treatment nano material and preparation method and application thereof | 东南大学 | 2024-07-12 | — | — | CN | claimed |
| CN-118324724-A | Multifunctional diagnosis and treatment nano material and preparation method and application thereof | 东南大学 | 2024-07-12 | — | — | CN | disclosed |