Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22692251 | 0.65 | — | — | |
| SCHEMBL2366282 | 0.61 | — | — | |
| SCHEMBL15255464 | 0.60 | ALDH1A1 (0.50) | ALDH1A1HPGDHSD17B10GAA | |
| SCHEMBL27255084 | 0.60 | ALDH1A1 (0.33) | ALDH1A1HPGDHSD17B10GAA | |
| SCHEMBL17414002 | 0.59 | ALDH1A1 (0.35) | ALDH1A1HPGDHSD17B10GAAKDM4E | |
| SCHEMBL10437089 | 0.58 | ALDH1A1 (0.41) | ALDH1A1HPGDHSD17B10GAAKDM4E | |
| SCHEMBL22839932 | 0.58 | — | — | |
| SCHEMBL21262607 | 0.58 | FFAR1 (0.43) | ALDH1A1GAAKDM4E | |
| SCHEMBL9637131 | 0.57 | ALDH1A1 (0.56) | ALDH1A1HPGDHSD17B10GAAKDM4E | |
| SCHEMBL10436985 | 0.55 | ALDH1A1 (0.49) | ALDH1A1HPGDHSD17B10GAAKDM4E |
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-3191113-B1 | MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80 (B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS | BRISTOL MYERS SQUIBB CO (US) | 2019-11-06 | — | — | EP | disclosed |