Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR2 | O95136 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.37 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29827163 | 0.84 | TAS1R3 (0.48) | PPARASMN1; SMN2MEN1KMT2AADORA3 | |
| SCHEMBL13687513 | 0.84 | TAS1R3 (0.48) | PPARASMN1; SMN2MEN1KMT2AADORA3 | |
| SCHEMBL22013287 | 0.83 | HSD17B3 (0.47) | S1PR2CYP2C19MAPTSMN1; SMN2L3MBTL1 | |
| SCHEMBL31224881 | 0.80 | GSK3B (0.50) | S1PR2CYP2C19MAPTALDH1A1BCHE | |
| SCHEMBL6226655 | 0.78 | GSK3B (0.52) | S1PR2CYP2C19MAPTMEN1KMT2A | |
| SCHEMBL27417494 | 0.78 | S1PR2 (0.42) | S1PR2CYP2C19MEN1KMT2AALDH1A1 | |
| SCHEMBL11382828 | 0.78 | MAPT (0.50) | PPARAMAPTSMN1; SMN2L3MBTL1ATM | |
| SCHEMBL633305 | 0.77 | TPMT (0.52) | PPARAMAPTSMN1; SMN2L3MBTL1ATM | |
| Hydrochloric Acid SCHEMBL9722617 | 0.77 | S1PR2 (0.41) | S1PR2CYP2C19MEN1KMT2AALDH1A1 | |
| SCHEMBL5860112 | 0.76 | TAS1R3 (0.44) | MAPTSMN1; SMN2L3MBTL1ATMMEN1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109535068-B | Pyridine substituted chalcone compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof | 中国药科大学 | 2022-07-29 | — | — | CN | disclosed |
| CN-102307869-B | Aminopyrazine derivative and medicine | NIPPON SHINYAKU CO.,LTD. (JP) | 2014-10-22 | — | — | CN | disclosed |
| CN-103562191-A | Nitrogen-containing saturated heterocyclic compound | SHANGHAI PHARMACEUTICALS HOLDING CO LTD | 2014-02-05 | — | — | CN | disclosed |
| CN-103415516-A | Bicyclic inhibitors of ALK | ABBOTT LAB | 2013-11-27 | — | — | CN | disclosed |
| CN-103153945-A | 1-oximino-3-phenyl-propanes | HOFFMANN LA ROCHE | 2013-06-12 | — | — | CN | disclosed |
| CN-1882568-B | Pyrrol derivatives with antibacterial activity | ASTRAZENECA AB | 2012-03-28 | — | — | CN | disclosed |
| CN-102307869-A | Aminopyrazine derivative and medicine | NIPPON SHINYAKU CO LTD | 2012-01-04 | — | — | CN | disclosed |
| CN-1882568-A | Pyrrol derivatives with antibacterial activity | ASTRAZENECA AB (SE) | 2006-12-20 | — | — | CN | disclosed |