Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.54 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.51 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | GRM5 | P41594 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | FNTA | P49354 | 1/20 | 0.43 |
| ▸ | FNTB | P49356 | 1/20 | 0.43 |
| ▸ | PGGT1B | P53609 | 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 | |
|---|---|---|---|---|
| SCHEMBL6891931 | 0.93 | CYP46A1 (0.56) | CYP46A1P2RX7GRIN2BCYP2D6CYP2C9 | |
| SCHEMBL3902852 | 0.93 | SMN1; SMN2 (0.56) | CYP46A1CYP2D6CYP2C9SMN1; SMN2NPC1 | |
| SCHEMBL12523823 | 0.89 | P2RX7 (0.53) | CYP46A1P2RX7GRIN2BCYP2D6CYP2C9 | |
| SCHEMBL1208730 | 0.86 | SMN1; SMN2 (0.49) | CYP46A1SMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL4359832 | 0.84 | KDM1A (0.52) | GRIN2BSMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL4392312 | 0.83 | FNTA (0.57) | SMN1; SMN2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL4387744 | 0.82 | F2 (0.48) | SMN1; SMN2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL13150170 | 0.82 | KDM4E (0.60) | GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1 | |
| SCHEMBL8386105 | 0.82 | KMT2A (0.52) | CYP2D6CYP2C9SMN1; SMN2NPC1RAB9A | |
| SCHEMBL4360186 | 0.81 | TMEM97 (0.53) | SMN1; SMN2NPC1RAB9AMEN1KMT2A |
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-115989225-A | Imidazole-pyrazole derivatives as antibacterial agents | 豪夫迈·罗氏有限公司 | 2023-04-18 | — | — | CN | disclosed |