Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 11/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 8/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16330414 | 0.89 | CTSK (0.54) | CTSKCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL17884307 | 0.89 | CTSK (0.54) | CTSKCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL17880452 | 0.83 | CTSK (0.49) | CTSKCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL17880416 | 0.83 | CTSK (0.49) | CTSKCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL16330411 | 0.82 | CTSK (0.48) | CTSKCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL17189629 | 0.81 | AKT1 (0.37) | NFKB1SMN1; SMN2CA1CA2CA7 | |
| SCHEMBL1317487 | 0.80 | CYP1A2 (0.49) | CTSKCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL1763873 | 0.80 | CYP1A2 (0.49) | CTSKCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL2225458 | 0.80 | CYP1A2 (0.49) | CTSKCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL17884342 | 0.80 | CTSK (0.44) | CTSKCYP1A2CYP2C9CYP2C19HTT |
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-113195473-B | Tricyclic compound as STING agonist and preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2022-11-22 | — | — | CN | disclosed |
| CN-113195473-A | Tricyclic compound as STING agonist and preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2021-07-30 | — | — | CN | disclosed |