Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Bromobenzene SCHEMBL28023281 | 0.91 | ALDH1A1 (0.55) | ALDH1A1TDP1MAPK1KDM4EMAPT | |
| Benzene SCHEMBL27888138 | 0.82 | ALDH1A1 (0.56) | ALDH1A1TDP1MAPK1TSHR | |
| Toluene SCHEMBL27904963 | 0.81 | LMNA (0.48) | ALDH1A1TDP1MAPK1AOX1PSIP1 | |
| Propionaldehyde SCHEMBL27544770 | 0.79 | ALDH1A1 (0.53) | ALDH1A1TDP1MAPK1MAPTKMT2A | |
| Chlorobenzene SCHEMBL27888130 | 0.79 | TSHR (0.46) | ALDH1A1TDP1MAPK1KDM4EMAPT | |
| Propionaldehyde SCHEMBL27292974 | 0.76 | ALDH1A1 (0.52) | ALDH1A1TDP1MAPK1KDM4EMAPT | |
| Propionaldehyde SCHEMBL27544772 | 0.75 | ALDH1A1 (0.47) | ALDH1A1TDP1MAPK1GABRA1GABRB2 | |
| Propionaldehyde SCHEMBL27625042 | 0.75 | ALDH1A1 (0.47) | ALDH1A1TDP1MAPK1MAPTTP53 | |
| Bromobenzene SCHEMBL27542269 | 0.74 | ALDH1A1 (0.65) | ALDH1A1TDP1MAPK1HTR2AKMT2A | |
| Bromobenzene SCHEMBL27392711 | 0.74 | ALDH1A1 (0.73) | ALDH1A1TDP1MAPK1KDM4EMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102875473-B | Preparation method of replaced-2-carbonyl imidazole compound | UNIV ZHEJIANG | 2014-11-26 | — | — | CN | claimed |
| CN-102875473-B | Preparation method of replaced-2-carbonyl imidazole compound | UNIV ZHEJIANG | 2014-11-26 | — | — | CN | disclosed |
| CN-102875473-A | Preparation method of replaced-2-carbonyl imidazole compound | UNIV ZHEJIANG | 2013-01-16 | — | — | CN | disclosed |