Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 11/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 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 | |
|---|---|---|---|---|
| SCHEMBL29170646 | 1.00 | RORC (0.50) | RORCCYP2C9CYP2C19GAACYP1A2 | |
| SCHEMBL24061256 | 0.88 | RORC (0.45) | RORCCYP2C9CYP2C19GAACYP1A2 | |
| SCHEMBL22278557 | 0.88 | RORC (0.45) | RORCCYP2C9CYP2C19GAACYP1A2 | |
| SCHEMBL22278727 | 0.88 | RORC (0.45) | RORCCYP2C9CYP2C19GAACYP1A2 | |
| SCHEMBL30816134 | 0.88 | RORC (0.45) | RORCCYP2C9CYP2C19GAACYP1A2 | |
| SCHEMBL23102331 | 0.87 | RORC (0.46) | RORCCYP2C9CYP2C19GAACYP1A2 | |
| SCHEMBL30816111 | 0.87 | RORC (0.46) | RORCCYP2C9CYP2C19GAACYP1A2 | |
| SCHEMBL22278574 | 0.87 | RORC (0.50) | RORCCYP2C9CYP2C19GAACYP1A2 | |
| SCHEMBL29170640 | 0.86 | RORC (0.44) | RORCCYP2C9CYP2C19GAALMNA | |
| SCHEMBL29170645 | 0.86 | RORC (0.44) | RORCCYP2C9CYP2C19GAALMNA |
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-114096533-B | Tri-ring compound, pharmaceutical composition containing same, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2024-03-08 | — | — | CN | disclosed |