Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | WEE1 | P30291 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL31607601 | 0.86 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1TSHRNR4A2CYP3A4 | |
| SCHEMBL4196237 | 0.86 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1TSHRNR4A2CYP3A4 | |
| SCHEMBL22675246 | 0.74 | ALDH1A1 (0.39) | ALDH1A1L3MBTL1TSHRNR4A2CYP3A4 | |
| SCHEMBL29779254 | 0.74 | ALDH1A1 (0.56) | ALDH1A1L3MBTL1TSHRNR4A2CYP3A4 | |
| SCHEMBL20293728 | 0.74 | ALDH1A1 (0.56) | ALDH1A1L3MBTL1TSHRNR4A2CYP3A4 | |
| SCHEMBL1670544 | 0.72 | — | — | |
| SCHEMBL30989195 | 0.72 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1TSHRNR4A2CYP3A4 | |
| SCHEMBL21647188 | 0.71 | ALDH1A1 (0.62) | ALDH1A1L3MBTL1TSHRCYP3A4HSD17B10 | |
| SCHEMBL30508983 | 0.71 | ALDH1A1 (0.62) | ALDH1A1L3MBTL1TSHRCYP3A4HSD17B10 | |
| SCHEMBL31607633 | 0.69 | PLA2G7 (0.49) | ALDH1A1L3MBTL1TSHRNR4A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4043461-A1 | COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF | Medshine Discovery Inc. (CN) | 2022-08-17 | — | — | EP | disclosed |
| WO-2021063404-A1 | COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF | 南京明德新药研发有限公司 | 2021-04-08 | — | — | WO | disclosed |