Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | MLYCD | O95822 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL22201164 | 0.81 | NR1H4 (0.39) | NR1H4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL22201204 | 0.77 | HDAC1 (0.48) | EPHX2PPARA | |
| SCHEMBL22201229 | 0.75 | PLAAT3 (0.47) | CYP1A2FFAR4HSD17B10L3MBTL1 | |
| SCHEMBL21149844 | 0.73 | HDAC1 (0.58) | L3MBTL1LMNANPC1RAB9AKMT2A | |
| SCHEMBL21148532 | 0.72 | ALOX5 (0.57) | CYP1A2CYP3A4CYP2D6CYP2C9HPGD | |
| SCHEMBL21149328 | 0.72 | PLAAT3 (0.47) | FFAR4HSD17B10NPC1 | |
| SCHEMBL22201167 | 0.72 | HDAC3 (0.47) | L3MBTL1MEN1KMT2APPARA | |
| SCHEMBL21148548 | 0.72 | LMNA (0.49) | HPGDHSD17B10LMNANPC1RAB9A | |
| SCHEMBL22201278 | 0.69 | MAPT (0.58) | NPC1RAB9A | |
| SCHEMBL22201127 | 0.68 | MAPT (0.61) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020141734-A1 | METHOD FOR PREPARING CHIRAL GAMMA-LACTAM COMPOUND AND METAL COMPLEX THEREFOR | 기초과학연구원 | 2020-07-09 | — | — | WO | disclosed |