Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | PRKDC | P78527 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27700248 | 0.88 | ALDH1A1 (0.56) | ALDH1A1CYP2D6L3MBTL1CYP3A4MAPT | |
| SCHEMBL1048335 | 0.87 | TAAR1 (0.62) | TAAR1 | |
| SCHEMBL18159080 | 0.87 | LMNA (0.43) | ALDH1A1CYP2D6L3MBTL1CYP3A4MAPT | |
| SCHEMBL29528231 | 0.87 | TAAR1 (0.62) | TAAR1 | |
| Methane SCHEMBL25287143 | 0.86 | ALDH1A1 (0.55) | ALDH1A1CYP2D6L3MBTL1CYP3A4MAPT | |
| SCHEMBL27173131 | 0.86 | ALDH1A1 (0.54) | ALDH1A1CYP2D6L3MBTL1CYP3A4MAPT | |
| Ammonia Solution, Strong SCHEMBL27205013 | 0.85 | TAAR1 (0.60) | TAAR1 | |
| Hydrochloric Acid SCHEMBL31069418 | 0.85 | TAAR1 (0.60) | TAAR1 | |
| SCHEMBL15547796 | 0.84 | TAAR1 (0.58) | ALDH1A1CYP2D6L3MBTL1TAAR1 | |
| SCHEMBL10778338 | 0.83 | ALDH1A1 (0.62) | ALDH1A1CYP2D6L3MBTL1CYP3A4MAPT |
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-105820070-A | N-{4-[3-(3-bromo-phenyl)-ureidomethyl]-2,5-dimethoxy-phenyl}-methanesulfonamide new compound, new intermediate, preparation method and application | 齐鲁工业大学 | 2016-08-03 | — | — | CN | disclosed |