Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 10/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 4/20 | 0.43 |
| ▸ | HTR2A | P28223 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL30506289 | 1.00 | HTR2C (0.51) | HTR2CCYP3A4TSHRCYP2C19NPSR1 | |
| SCHEMBL893097 | 0.78 | PTPN1 (0.46) | CYP3A4TSHRCYP2C19NPSR1GAA | |
| SCHEMBL13410161 | 0.78 | ROCK2 (0.49) | HTR2CGAAROCK2ALDH1A1 | |
| SCHEMBL17080040 | 0.74 | TSHR (0.45) | HTR2CTSHRROCK2 | |
| SCHEMBL29086018 | 0.74 | CYP3A4 (0.43) | CYP3A4TSHRCYP2C19NPSR1GAA | |
| SCHEMBL10691676 | 0.71 | HTR2C (0.60) | HTR2CTSHRHTR2BROCK2ALDH1A1 | |
| SCHEMBL17080069 | 0.71 | ROCK2 (0.46) | HTR2CCYP3A4TSHRCYP2C19HTR2B | |
| SCHEMBL17080056 | 0.70 | HTR2C (0.46) | HTR2CTSHRHTR2BHTR2AROCK2 | |
| SCHEMBL17079973 | 0.69 | ROCK2 (0.45) | HTR2CGAAROCK2ALDH1A1 | |
| SCHEMBL17080106 | 0.69 | HTR2C (0.43) | HTR2CTSHRHTR2BHTR2AROCK2 |
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-117777121-A | Compounds and uses thereof | 詹森药业有限公司 | 2024-03-29 | — | — | CN | disclosed |
| CN-110099898-B | Compounds and uses thereof | 优曼尼蒂治疗公司 | 2023-07-25 | — | — | CN | disclosed |