Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 7/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | RAD52 | P43351 | 1/20 | 0.36 |
| ▸ | NLRP1 | Q9C000 | 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 | |
|---|---|---|---|---|
| SCHEMBL27418241 | 0.78 | CYP19A1 (0.43) | KCNH2CYP19A1CYP2C19PTGER4MAPT | |
| SCHEMBL24824867 | 0.77 | PTGER4 (0.44) | KCNH2CYP19A1CYP2C19PTGER4PTGDR2 | |
| SCHEMBL27693251 | 0.76 | PSEN1 (0.41) | KCNH2CYP19A1CYP2C19KDM1A | |
| SCHEMBL10467514 | 0.76 | PSEN1 (0.41) | KCNH2CYP19A1CYP2C19KDM1A | |
| SCHEMBL16727205 | 0.76 | PTGER4 (0.43) | KCNH2CYP19A1CYP2C19PTGER4PTGDR2 | |
| SCHEMBL27693102 | 0.74 | CYP19A1 (0.41) | CYP19A1CYP2C19PTGDR2 | |
| SCHEMBL18015838 | 0.74 | KCNH2 (0.56) | KCNH2CYP19A1CYP2C19PTGER4PTGDR2 | |
| SCHEMBL13153267 | 0.74 | PTGER4 (0.42) | KCNH2CYP19A1CYP2C19PTGER4PTGDR2 | |
| SCHEMBL12485507 | 0.73 | KDM4E (0.54) | KCNH2PTGDR2CYP1A2TDP1 | |
| SCHEMBL22450724 | 0.73 | KCNH2 (0.56) | KCNH2PTGER4PTGDR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3936126-A1 | COMBINATION OF IAP INHIBITOR AND IMMUNE CHECKPOINT INHIBITOR | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) | 2022-01-12 | — | — | EP | disclosed |