Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.48 |
| ▸ | TNKS | O95271 | 2/20 | 0.48 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28174801 | 0.80 | GAA (0.44) | PARP1TNKSTNKS2KDM4EMAPT | |
| SCHEMBL28041598 | 0.74 | KDM4E (0.56) | KDM4EMAPTMAPK1TDP1L3MBTL1 | |
| SCHEMBL12202346 | 0.73 | ENPP1 (0.42) | PARP1TNKSTNKS2KDM4EMAPT | |
| SCHEMBL28019948 | 0.72 | ENPP1 (0.47) | PARP1TNKSTNKS2KDM4EL3MBTL1 | |
| SCHEMBL28197194 | 0.72 | TDP1 (0.46) | PARP1TNKSTNKS2KDM4EMAPT | |
| SCHEMBL11060868 | 0.72 | KDM4E (0.61) | PARP1TNKSTNKS2KDM4EMAPT | |
| SCHEMBL2264181 | 0.72 | KDM4E (0.62) | KDM4EMAPTMAPK1TDP1L3MBTL1 | |
| SCHEMBL11060901 | 0.72 | CYP1A2 (0.66) | KDM4EMAPTTDP1HPGDTSHR | |
| SCHEMBL30182735 | 0.72 | CYP1A2 (0.66) | KDM4EMAPTTDP1HPGDTSHR | |
| SCHEMBL3286046 | 0.71 | TSHR (0.42) | PARP1TNKSTNKS2KDM4EMAPT |
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-104086485-B | Prepare the method for poly-substituted quinoline type aromatic ring pyridine derivate | TSINGHUA UNIVERSITY (CN) | 2016-03-30 | — | — | CN | disclosed |