Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.73 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | CES1 | P23141 | 2/20 | 0.54 |
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 5/20 | 0.51 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.51 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.50 |
| ▸ | MITF | O75030 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| 4-Nitrobenzoyl Chloride SCHEMBL28291421 | 0.95 | ALDH1A1 (0.67) | ALDH1A1L3MBTL1TDP1CES1CES2 | |
| 4-Nitrobenzoyl Chloride SCHEMBL28873526 | 0.86 | ALDH1A1 (1.00) | ALDH1A1L3MBTL1TDP1CES1CES2 | |
| 4-Nitrobenzoyl Chloride SCHEMBL43141 | 0.86 | ALDH1A1 (1.00) | ALDH1A1L3MBTL1TDP1CES1CES2 | |
| 4-Nitrobenzoyl Chloride SCHEMBL5400755 | 0.84 | ALDH1A1 (0.96) | ALDH1A1L3MBTL1TDP1CES1CES2 | |
| Pyridine SCHEMBL5954793 | 0.83 | ALDH1A1 (0.56) | ALDH1A1L3MBTL1CES1CES2TSHR | |
| Pyridine SCHEMBL27374629 | 0.83 | L3MBTL1 (0.75) | ALDH1A1L3MBTL1TDP1CES1CES2 | |
| SCHEMBL3032088 | 0.80 | ALDH1A1 (0.88) | ALDH1A1L3MBTL1TDP1CES1CES2 | |
| 4-Nitrobenzoyl Chloride SCHEMBL9129925 | 0.80 | ALDH1A1 (0.88) | ALDH1A1L3MBTL1TDP1CES1CES2 | |
| 4-Nitrobenzoyl Chloride SCHEMBL27787602 | 0.80 | ALDH1A1 (0.88) | ALDH1A1L3MBTL1TDP1CES1CES2 | |
| 4-Nitrobenzoyl Chloride SCHEMBL27648131 | 0.80 | ALDH1A1 (0.73) | ALDH1A1TDP1CES1CES2TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2205586-A1 | QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION | SuperGen, Inc. (US) | 2010-07-14 | — | — | EP | disclosed |
| WO-2009049132-A1 | QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION | SUPERGEN, INC. (US) | 2009-04-16 | — | — | WO | disclosed |