Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP1 | P11387 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GPR52 | Q9Y2T5 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
| ▸ | BCL2 | P10415 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | RARB | P10826 | 1/20 | 0.36 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.36 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28006953 | 0.90 | TDP1 (0.38) | ALDH1A1POLBTDP1L3MBTL1NR1H4 | |
| SCHEMBL28006642 | 0.83 | GPR52 (0.51) | ALDH1A1GPR52KDM4E | |
| SCHEMBL28006979 | 0.82 | TOP1 (0.47) | TOP1GPR52KDM4EMAOBPOLB | |
| Allylbenzene SCHEMBL27875949 | 0.82 | ALDH1A1 (0.43) | ALDH1A1KDM4ENSD2ESR1POLB | |
| Butane SCHEMBL27422579 | 0.80 | TSHR (0.47) | ALDH1A1KDM4ENSD2ESR1POLB | |
| SCHEMBL27520125 | 0.79 | ALDH1A1 (0.41) | ALDH1A1KDM4ENSD2ESR1POLB | |
| SCHEMBL28006956 | 0.78 | RARB (0.59) | ALDH1A1KMT2ARARB | |
| Benzene SCHEMBL27546363 | 0.78 | KDM4E (0.55) | ALDH1A1KDM4EESR1TDP1TSHR | |
| SCHEMBL28826878 | 0.77 | GPR52 (0.47) | ALDH1A1GPR52KDM4EPOLBTSHR | |
| Pentane SCHEMBL27676126 | 0.77 | RARB (0.48) | TSHRRARB |
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-104428421-A | Process for using tobacco | KIND CONSUMER LTD | 2015-03-18 | — | — | CN | disclosed |