Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29274259 | 0.78 | ALDH1A1 (0.66) | ALDH1A1TDP1L3MBTL1MAPTKMT2A | |
| SCHEMBL1341300 | 0.78 | ALDH1A1 (0.66) | ALDH1A1TDP1L3MBTL1MAPTKMT2A | |
| SCHEMBL8996846 | 0.78 | SMN1; SMN2 (0.51) | ALDH1A1TDP1L3MBTL1MAPTKMT2A | |
| SCHEMBL8327260 | 0.77 | KMT2A (0.61) | ALDH1A1L3MBTL1MAPTKMT2AMEN1 | |
| 2-Nitroanisole SCHEMBL29434934 | 0.75 | ALDH1A1 (1.00) | ALDH1A1TDP1L3MBTL1MAPTKMT2A | |
| 2-Nitroanisole SCHEMBL186551 | 0.75 | ALDH1A1 (1.00) | ALDH1A1TDP1L3MBTL1MAPTKMT2A | |
| 2-Nitroanisole SCHEMBL20328416 | 0.75 | ALDH1A1 (1.00) | ALDH1A1TDP1L3MBTL1MAPTKMT2A | |
| 1,2-Dimethoxybenzene SCHEMBL27460764 | 0.75 | ALDH1A1 (0.84) | ALDH1A1TDP1L3MBTL1MAPTKMT2A | |
| SCHEMBL3215060 | 0.75 | ALDH1A1 (0.61) | ALDH1A1TDP1L3MBTL1MAPTKMT2A | |
| SCHEMBL5376331 | 0.74 | MEN1 (0.65) | ALDH1A1TDP1L3MBTL1MAPTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-105646396-A | Method for synthesizing benzothiazole derivatives | 上海应用技术学院 | 2016-06-08 | — | — | CN | disclosed |