Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | PLA2G2D | Q9UNK4 | 2/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | RXRB | P28702 | 1/20 | 0.35 |
| ▸ | RXRG | P48443 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27928405 | 0.86 | ACE2 (0.37) | PTPN1GSK3BALDH1A1PLA2G2DPDK2 | |
| SCHEMBL28901823 | 0.85 | TSHR (0.42) | PTPN1GSK3BALDH1A1L3MBTL1ACE2 | |
| SCHEMBL27613213 | 0.82 | KDM4E (0.37) | PTPN1GSK3BALDH1A1EPHX2NR1H4 | |
| SCHEMBL27671697 | 0.79 | PTPN1 (0.41) | PTPN1GSK3BALDH1A1PLA2G2DEPHX2 | |
| SCHEMBL27779200 | 0.79 | TSHR (0.40) | PTPN1GSK3BALDH1A1EPHX2NR1H4 | |
| SCHEMBL28781333 | 0.79 | KDM4E (0.37) | PTPN1GSK3BALDH1A1L3MBTL1ACE2 | |
| Bromoethane SCHEMBL28815986 | 0.77 | PLA2G2D (0.38) | ALDH1A1PLA2G2DPDK2EPHX2NR1H4 | |
| Hydrochloric Acid SCHEMBL7738825 | 0.77 | PDK2 (0.43) | PTPN1ALDH1A1PLA2G2DPDK2RXRA | |
| SCHEMBL18284489 | 0.77 | EPHX2 (0.51) | ALDH1A1PLA2G2DPDK2EPHX2NR1H4 | |
| SCHEMBL27527292 | 0.77 | MRGPRX4 (0.48) | ALDH1A1PLA2G2DPDK2EPHX2NR1H4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101448791-B | Fxr agonists | LILLY CO ELI | 2011-11-16 | — | — | CN | disclosed |
| CN-101341133-A | Quinazoline derivatives, process for their preparation and their use as anti-cancer agents | ASTRAZENECA AB (SE) | 2009-01-07 | — | — | CN | disclosed |
| CN-101146789-A | Compound (I) | ASTRAZENECA AB (SE) | 2008-03-19 | — | — | CN | disclosed |
| CN-101128454-A | Pyridine carboxamide derivatives for use as anticancer agents | ASTRAZENECA AB (SE) | 2008-02-20 | — | — | CN | disclosed |