Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP1 | P22413 | 3/20 | 0.45 |
| ▸ | KDR | P35968 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | CHUK | O15111 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | CSF1R | P07333 | 1/20 | 0.39 |
| ▸ | MET | P08581 | 1/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.39 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11158123 | 0.80 | RAB9A (0.43) | KDRRAB9AIKBKBCHUKNPC1 | |
| SCHEMBL11901043 | 0.75 | MAP4K4 (0.48) | KDRRAB9ANPC1LRRK2MAP4K4 | |
| SCHEMBL4582784 | 0.74 | MAP4K4 (0.69) | KDRRAB9ANPC1LRRK2MAP4K4 | |
| SCHEMBL11821346 | 0.71 | KMO (0.51) | KDRRAB9ANPC1LRRK2MAP4K4 | |
| SCHEMBL12100694 | 0.68 | MAP4K4 (0.41) | MAP4K4ADORA1PIM1GSK3BMAP2K1 | |
| SCHEMBL20288103 | 0.67 | CYP2A6 (0.57) | KDRRAB9ANPC1LRRK2MAP4K4 | |
| SCHEMBL28960689 | 0.67 | HEXA (0.46) | KDRRAB9ANPC1LRRK2MAP4K4 | |
| SCHEMBL17773849 | 0.65 | NR1H2 (0.50) | IKBKBCHUKLRRK2CA1CA2 | |
| SCHEMBL14534371 | 0.65 | CA1 (0.59) | MEN1KMT2ACA1CA2HSD17B10 | |
| SCHEMBL12315202 | 0.64 | LRRK2 (0.46) | ENPP1LRRK2ADORA1KMO |
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-115010659-A | New impurity reference substance of torasemide and preparation method thereof | 南京正科医药股份有限公司 | 2022-09-06 | — | — | CN | disclosed |