Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PLK1 | P53350 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SLC2A1 | P11166 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.35 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29827269 | 0.84 | PAX8 (0.38) | NPC1MEN1KMT2APLK1ELANE | |
| SCHEMBL30502409 | 0.82 | CYP2D6 (0.43) | CYP2D6MEN1KMT2ASIGMAR1KEAP1 | |
| SCHEMBL2679932 | 0.82 | CYP2D6 (0.43) | CYP2D6MEN1KMT2ASIGMAR1KEAP1 | |
| Hydrochloric Acid SCHEMBL28101819 | 0.81 | EP300 (0.43) | CYP2D6MEN1KMT2ASIGMAR1MAPT | |
| SCHEMBL9283373 | 0.79 | CYP2D6 (0.43) | CYP2D6KMT2AKEAP1NFE2L2MAPT | |
| SCHEMBL8899668 | 0.78 | CYP2D6 (0.36) | CYP2D6NPC1SIGMAR1SMN1; SMN2KEAP1 | |
| SCHEMBL6045799 | 0.77 | CYP2D6 (0.42) | CYP2D6MEN1KMT2ASIGMAR1KEAP1 | |
| SCHEMBL417875 | 0.77 | SLC2A1 (0.45) | CYP2D6SLC2A1TSHRCTRB1NCEH1 | |
| Ammonia Solution, Strong SCHEMBL23749153 | 0.76 | SLC2A1 (0.44) | CYP2D6SLC2A1CTRB1NCEH1 | |
| SCHEMBL10904256 | 0.75 | PTPN22 (0.48) | SIGMAR1MAPT |
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-118688315-A | Multichannel high-coverage synchronous quantification method for amino-containing and hydroxyl-containing compounds | 复旦大学 | 2024-09-24 | — | — | CN | disclosed |