Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | FNTA | P49354 | 1/20 | 0.41 |
| ▸ | FNTB | P49356 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.41 |
| ▸ | NSD2 | O96028 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | LDHA | P00338 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28006635 | 0.89 | FNTA (0.46) | ALDH1A1FNTAFNTBESR1POLB | |
| Propionic Acid SCHEMBL27786631 | 0.80 | TSHR (0.46) | ALDH1A1KDM4ENSD2ESR1POLB | |
| Benzene SCHEMBL27546363 | 0.80 | KDM4E (0.55) | CES2CES1ALDH1A1KDM4EESR1 | |
| SCHEMBL28006640 | 0.80 | L3MBTL1 (0.44) | ALDH1A1KDM4ENSD2ESR1POLB | |
| Alcohol SCHEMBL27614988 | 0.78 | TSHR (0.47) | ALDH1A1KDM4ENSD2ESR1POLB | |
| Butane SCHEMBL27422579 | 0.78 | TSHR (0.47) | ALDH1A1KDM4ENSD2ESR1POLB | |
| Phenylethyl Alcohol SCHEMBL28016810 | 0.78 | TDP1 (0.48) | ALDH1A1KDM4EPOLBTDP1TSHR | |
| SCHEMBL69633 | 0.78 | TSHR (0.53) | ALDH1A1KDM4EESR1POLBTDP1 | |
| SCHEMBL108976 | 0.78 | CES1 (0.77) | CES2CES1ALDH1A1FNTAFNTB | |
| Naphthalene SCHEMBL27658434 | 0.77 | KDM4E (0.53) | CES2CES1ALDH1A1KDM4ETDP1 |
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 |