Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | XBP1 | P17861 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28318361 | 0.77 | KDM4E (0.50) | GAANR1H4TSHRLMNAPARP1 | |
| SCHEMBL7753630 | 0.75 | NR1H4 (0.43) | L3MBTL1GAANR1H4TSHRALDH1A1 | |
| SCHEMBL7841921 | 0.75 | ALDH1A1 (0.53) | L3MBTL1GAACA1CA2TSHR | |
| SCHEMBL28388299 | 0.75 | PARP1 (0.41) | L3MBTL1NR1H4EPHX2CA1CA2 | |
| SCHEMBL23387586 | 0.74 | DGAT1 (0.55) | CA1CA2TSHRLMNAXBP1 | |
| SCHEMBL8976949 | 0.74 | CES2 (0.42) | L3MBTL1LMNAPARP1KMT2AATM | |
| SCHEMBL14724856 | 0.73 | HTT (0.49) | CA2LMNAALDH1A1MEN1MAPT | |
| SCHEMBL10822062 | 0.73 | ALDH1A1 (0.55) | GAANR1H4TSHRLMNAALDH1A1 | |
| SCHEMBL2207014 | 0.72 | NR1H4 (0.41) | GAANR1H4EPHX2ALDH1A1KDM4E | |
| SCHEMBL28885683 | 0.72 | ALDH1A1 (0.52) | ADRA1DGAACA1CA2TSHR |
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-116162084-A | Pyran derivatives as CYP11A1 inhibitors | 奥赖恩公司 | 2023-05-26 | — | — | CN | disclosed |