Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.58 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.51 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.51 |
| ▸ | HTR2A | P28223 | 2/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.48 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6491669 | 0.90 | ABCB1 (0.58) | SIGMAR1KCNJ1KCNH2HRH3GRIN2B | |
| SCHEMBL1997187 | 0.86 | MAPT (0.50) | SIGMAR1GRIN2BPKM | |
| SCHEMBL6296037 | 0.78 | DRD4 (0.54) | SIGMAR1GRIN2BPKM | |
| SCHEMBL6291722 | 0.78 | GRIN2B (0.55) | GRIN2BPKM | |
| SCHEMBL21412716 | 0.78 | HRH3 (0.55) | SIGMAR1KCNJ1KCNH2HRH3GRIN2B | |
| Hydrochloric Acid SCHEMBL8186681 | 0.77 | GRIN2B (0.54) | SIGMAR1GRIN2BPKM | |
| SCHEMBL14067367 | 0.77 | DPP7 (0.51) | GRIN2B | |
| SCHEMBL29383310 | 0.77 | DPP7 (0.43) | KCNJ1KCNH2GRIN2B | |
| SCHEMBL7598211 | 0.77 | ABCB1 (0.74) | SIGMAR1KCNJ1KCNH2HRH3ABCB1 | |
| SCHEMBL1585063 | 0.77 | SLC6A3 (0.61) | SIGMAR1KCNH2HRH3 |
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-104744461-A | Lactam-containing compounds and derivatives thereof as factor Xa inhibitors | BRISTOL MYERS SQUIBB CO | 2015-07-01 | — | — | CN | disclosed |