Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | AGPAT2 | O15120 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALB | P02768 | 2/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL6813726 | 0.97 | AGPAT2 (0.37) | ALDH1A1AGPAT2HIF1AHTR2AHTR2C | |
| SCHEMBL6817347 | 0.96 | ALDH1A1 (0.40) | ALDH1A1HIF1AHTR2AHTR2CTP53 | |
| SCHEMBL6817645 | 0.95 | AGPAT2 (0.37) | ALDH1A1AGPAT2HIF1AHTR2AHTR2C | |
| SCHEMBL6819127 | 0.94 | ALDH1A1 (0.39) | ALDH1A1HIF1AHTR2AHTR2CTP53 | |
| SCHEMBL6821197 | 0.91 | ALDH1A1 (0.39) | ALDH1A1HIF1AHTR2AHTR2CTP53 | |
| SCHEMBL6818846 | 0.90 | ALDH1A1 (0.39) | ALDH1A1HIF1AHTR2AHTR2CTP53 | |
| SCHEMBL6818523 | 0.90 | ALDH1A1 (0.43) | ALDH1A1HIF1AHTR2AHTR2CTP53 | |
| SCHEMBL6813822 | 0.89 | AGPAT2 (0.37) | AGPAT2HIF1AHTR2AHTR2CTP53 | |
| SCHEMBL6822192 | 0.88 | AGPAT2 (0.35) | ALDH1A1AGPAT2HIF1AHTR2AHTR2C | |
| SCHEMBL6818600 | 0.87 | TP53 (0.34) | HIF1ATP53POLBMAPTALB |
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-2004018428-A1 | ANTIBACTERIAL BENZOIC ACID DERIVATIVES | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-03-04 | — | — | WO | disclosed |