Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARK7 | Q99497 | 4/20 | 0.50 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CUL4A | Q13619 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31003772 | 0.83 | PARK7 (0.53) | PARK7CHRM5CYP1B1MAPTPOLB | |
| SCHEMBL17165873 | 0.78 | PARK7 (0.44) | PARK7CHRM5CYP1B1MAPTTP53 | |
| SCHEMBL5001267 | 0.77 | CHRM5 (0.60) | PARK7CHRM5CYP1B1MAPTPOLB | |
| SCHEMBL17165877 | 0.75 | CYP1B1 (0.49) | PARK7CHRM5CYP1B1MAPTTP53 | |
| SCHEMBL25756589 | 0.72 | CYP1B1 (0.46) | PARK7CHRM5CYP1B1MAPTTP53 | |
| SCHEMBL28026697 | 0.70 | PARK7 (0.53) | PARK7CHRM5CYP1B1MAPTCUL4A | |
| SCHEMBL19630004 | 0.70 | BRD4 (0.35) | ALDH1A1USP2 | |
| SCHEMBL30403461 | 0.67 | CUL4A (0.68) | PARK7CHRM5MAPTCUL4ACES1 | |
| SCHEMBL22667286 | 0.67 | CUL4A (0.68) | PARK7CHRM5MAPTCUL4ACES1 | |
| SCHEMBL29411355 | 0.67 | APAF1 (0.60) | PARK7MAPTPOLBCES1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017199265-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION | BUGWORKS RESEARCH INDIA PVT LTD (IN) | 2017-11-23 | — | — | WO | disclosed |