Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.58 |
| ▸ | CES2 | O00748 | 1/20 | 0.58 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | FNTA | P49354 | 1/20 | 0.48 |
| ▸ | FNTB | P49356 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | PAM | P19021 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1493 | 0.95 | CES1 (0.64) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL27293995 | 0.95 | CES1 (0.64) | CES1CES2AKR1B1MEN1KMT2A | |
| Hydrogen Sulfide SCHEMBL27809609 | 0.93 | CES1 (0.61) | CES1CES2AKR1B1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL3047868 | 0.93 | CES1 (0.61) | CES1CES2AKR1B1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL29120664 | 0.91 | CES1 (0.58) | CES1CES2AKR1B1MEN1KMT2A | |
| Methyl Alcohol SCHEMBL3883089 | 0.91 | CES1 (0.58) | CES1CES2AKR1B1MEN1KMT2A | |
| Ethane SCHEMBL10956080 | 0.91 | CES1 (0.58) | CES1CES2AKR1B1MEN1KMT2A | |
| Urea SCHEMBL28745676 | 0.88 | CES1 (0.56) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL7196775 | 0.86 | CES1 (0.54) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL8698889 | 0.85 | CES1 (0.52) | CES1CES2AKR1B1MEN1KMT2A |
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-106279110-A | Heterocyclic compound, medicine containing described compound and application thereof and its preparation method | 勃林格殷格翰国际有限公司 | 2017-01-04 | — | — | CN | disclosed |
| CN-104024244-B | Heterocyclic compounds, medicaments containing said compounds, their use and processes for their preparation | 勃林格殷格翰国际有限公司 | 2016-09-14 | — | — | CN | disclosed |
| CN-1069488-A | Hexahydrobenzene is [f] quinolinone also | LILLY CO ELI (US) | 1993-03-03 | — | — | CN | disclosed |