Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NUDT1 | P36639 | 4/20 | 0.34 |
| ▸ | PDCD1 | Q15116 | 3/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21229275 | 0.85 | CYP3A4 (0.50) | ALDH1A1CYP3A4TSHRPIK3CAPDK2 | |
| SCHEMBL29779254 | 0.81 | ALDH1A1 (0.56) | ALDH1A1CYP3A4TSHRPIK3CAMAPT | |
| SCHEMBL20293728 | 0.81 | ALDH1A1 (0.56) | ALDH1A1CYP3A4TSHRPIK3CAMAPT | |
| SCHEMBL22779822 | 0.81 | MAPT (0.47) | ALDH1A1PDK2MAPTTDP1RAB9A | |
| SCHEMBL20293684 | 0.81 | KDM4E (0.47) | ALDH1A1MAPTRAB9AMAPK1SMN1; SMN2 | |
| SCHEMBL3786406 | 0.79 | ALDH1A1 (0.41) | ALDH1A1CYP3A4TSHRPIK3CAPDK2 | |
| SCHEMBL20312242 | 0.77 | ALDH1A1 (0.46) | ALDH1A1MAPTRAB9ASMN1; SMN2PDCD1 | |
| SCHEMBL30127687 | 0.77 | ALDH1A1 (0.46) | ALDH1A1MAPTRAB9ASMN1; SMN2PDCD1 | |
| SCHEMBL1130997 | 0.77 | CYP3A4 (0.59) | ALDH1A1CYP3A4TSHRPIK3CAMAPT | |
| SCHEMBL4196237 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TSHRPIK3CAMAPT |
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-4043461-A1 | COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF | Medshine Discovery Inc. (CN) | 2022-08-17 | — | — | EP | disclosed |