Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 2/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.41 |
| ▸ | CYP2A13 | Q16696 | 2/20 | 0.38 |
| ▸ | PIK3C2B | O00750 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.30 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.30 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.30 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL147988 | 0.84 | PDCD1 (0.53) | PDCD1CD274S1PR1S1PR3CYP4F2 | |
| SCHEMBL20540364 | 0.82 | PDCD1 (0.52) | PDCD1CD274S1PR1S1PR3CYP4F2 | |
| SCHEMBL29724539 | 0.82 | PDCD1 (0.52) | PDCD1CD274S1PR1S1PR3CYP4F2 | |
| Tetrahydrofuran SCHEMBL28831241 | 0.75 | ALDH1A1 (0.43) | CYP2A13 | |
| SCHEMBL21623410 | 0.74 | CD274 (0.61) | PDCD1CD274S1PR1S1PR3 | |
| Tetrahydrofuran SCHEMBL28123352 | 0.74 | CYP2A13 (0.51) | PDCD1CD274CYP2A13CYP4F2CYP4A11 | |
| SCHEMBL28584769 | 0.71 | CYP3A4 (0.45) | CYP2A13 | |
| SCHEMBL6424004 | 0.70 | PDCD1 (0.64) | PDCD1CD274CYP4F2CYP4A11 | |
| SCHEMBL1244819 | 0.70 | TAAR1 (0.38) | PDCD1CD274 | |
| Tetrahydrofuran SCHEMBL4655531 | 0.69 | CYP4F2 (0.40) | CYP2A13CYP4F2CYP4A11 |
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-116507341-A | Formulated and/or co-formulated liposome compositions containing PD-1 antagonist prodrugs for treating cancer and methods thereof | 纳米医疗有限公司 | 2023-07-28 | — | — | CN | disclosed |