Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | AVPR1A | P37288 | 4/20 | 0.33 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.33 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.33 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.32 |
| ▸ | PNMT | P11086 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29922364 | 0.76 | NPY5R (0.43) | SIGMAR1AVPR1A | |
| SCHEMBL29922416 | 0.76 | POLB (0.40) | SIGMAR1AVPR1A | |
| SCHEMBL18854250 | 0.73 | SIGMAR1 (0.55) | SIGMAR1AVPR1A | |
| SCHEMBL29922163 | 0.69 | CA1 (0.42) | CA1CA2CA9CA12GABRA1 | |
| SCHEMBL19182729 | 0.68 | PTGS2 (0.48) | CA1CA2CA9CA12GABRA1 | |
| SCHEMBL30080975 | 0.68 | PTGS2 (0.48) | CA1CA2CA9CA12GABRA1 | |
| SCHEMBL31394077 | 0.67 | AVPR1A (0.51) | CA1CA2CA9CA4CA7 | |
| SCHEMBL27280604 | 0.66 | CYP2C19 (0.49) | CA1CA2CA9CA12GABRA1 | |
| SCHEMBL14260150 | 0.66 | FTO (0.60) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL28970715 | 0.65 | CYP2C19 (0.51) | CA1CA2CA9CA12GABRA1 |
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-2022188735-A1 | HETEROCYCLIC COMPOUNDS AS HPK1 INHIBITORS | GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) | 2022-09-15 | — | — | WO | disclosed |