Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | GABRP | O00591 | 2/20 | 0.43 |
| ▸ | GABRD | O14764 | 2/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.43 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.43 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.43 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.43 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.43 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.43 |
| ▸ | GABRE | P78334 | 2/20 | 0.43 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.43 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.43 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.43 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14956928 | 0.89 | ALDH1A1 (0.47) | KDM4EMAPK1ALDH1A1GAAHSD17B10 | |
| SCHEMBL27473142 | 0.82 | GABRA1 (0.40) | KDM4EGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL14957462 | 0.81 | NAPRT (0.48) | KDM4EMAPK1L3MBTL1GABRPGABRD | |
| SCHEMBL28577809 | 0.81 | GABRP (0.53) | KDM4EMAPK1L3MBTL1GABRPGABRD | |
| SCHEMBL27788813 | 0.80 | GABRP (0.47) | KDM4EMAPK1L3MBTL1GABRPGABRD | |
| SCHEMBL5554420 | 0.80 | MAPK1 (0.46) | KDM4EMAPK1ALDH1A1GAAHSD17B10 | |
| SCHEMBL14967079 | 0.79 | ALDH1A1 (0.45) | KDM4EMAPK1L3MBTL1ALDH1A1GAA | |
| SCHEMBL1615816 | 0.79 | MAPK1 (0.44) | KDM4EMAPK1L3MBTL1ALDH1A1GAA | |
| SCHEMBL31354558 | 0.79 | LCK (0.46) | MAPK1ALDH1A1GAAHSD17B10MAPT | |
| SCHEMBL12462531 | 0.79 | LCK (0.46) | MAPK1ALDH1A1GAAHSD17B10MAPT |
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-103119043-A | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL | 2013-05-22 | — | — | CN | disclosed |