Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MET | P08581 | 6/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 3/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL112749 | 0.86 | ALDH1A1 (0.58) | ALDH1A1RAB9ANPC1POLBTP53 | |
| SCHEMBL84502 | 0.83 | PSMD14 (0.55) | TDP1RAB9ANPC1POLBTP53 | |
| SCHEMBL31490195 | 0.83 | PSMD14 (0.55) | TDP1RAB9ANPC1POLBTP53 | |
| Quinoline SCHEMBL28241576 | 0.82 | ALDH1A1 (0.59) | ALDH1A1RAB9ANPC1POLBTP53 | |
| SCHEMBL825931 | 0.82 | ALDH1A1 (0.53) | ALDH1A1RAB9ANPC1POLBTP53 | |
| SCHEMBL22453890 | 0.78 | NPC1 (0.66) | ALDH1A1RAB9ANPC1POLBTP53 | |
| SCHEMBL12789731 | 0.77 | TDP1 (0.53) | TDP1ALDH1A1RAB9ANPC1TP53 | |
| SCHEMBL20061110 | 0.74 | NPC1 (0.70) | ALDH1A1RAB9ANPC1POLBTP53 | |
| SCHEMBL22521436 | 0.73 | ALDH1A1 (0.55) | ALDH1A1RAB9ANPC1POLBTP53 | |
| SCHEMBL1328999 | 0.73 | ALDH1A1 (0.55) | ALDH1A1RAB9ANPC1POLBTP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-20080118591-A1 | mixture contains perfume ingredients active against gramnegative bacteria; alcohols, aldehydes, ketones, imines, esters compound; low concentrations of Triclosan or other phenolic biocides; for disinfection, cleaning; liquid soaps for washing, shampoo; oral care products, mouth wash, tooth paste | GIVAUDAN SA (CH) | 2008-05-22 | — | — | US | claimed |