Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 1/20 | 0.42 |
| ▸ | GOT1 | P17174 | 4/20 | 0.41 |
| ▸ | PARP1 | P09874 | 5/20 | 0.38 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.37 |
| ▸ | MPO | P05164 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15072740 | 0.76 | PARP1 (0.45) | GOT1PARP1GAAMAPTALDH1A1 | |
| SCHEMBL29370792 | 0.73 | BCAT2 (0.45) | PARP1ALDH1A1DGAT1 | |
| SCHEMBL23212137 | 0.73 | BCAT2 (0.45) | PARP1ALDH1A1DGAT1 | |
| SCHEMBL14307992 | 0.72 | PARP1 (0.54) | PARP1MAPTALDH1A1DGAT1 | |
| SCHEMBL4408386 | 0.69 | SCN9A (0.46) | PARP1ALDH1A1DGAT1 | |
| SCHEMBL16378282 | 0.69 | DGAT1 (0.40) | PARP1DGAT1 | |
| SCHEMBL46523 | 0.69 | ALDH1A1 (0.59) | PARP1GAAALDH1A1ATM | |
| Hydrochloric Acid SCHEMBL16796081 | 0.68 | ALDH1A1 (0.58) | PARP1GAAALDH1A1ATM | |
| SCHEMBL29026919 | 0.66 | POLB (0.55) | MAPTALDH1A1 | |
| SCHEMBL408713 | 0.64 | NOTUM (0.43) | DGAT1 |
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-3887371-B1 | ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION | HOFFMANN LA ROCHE (CH) | 2023-02-22 | — | — | EP | disclosed |