Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | GRM5 | P41594 | 1/20 | 0.42 |
| ▸ | LIMK1 | P53667 | 4/20 | 0.40 |
| ▸ | IKBKB | O14920 | 6/20 | 0.38 |
| ▸ | CHUK | O15111 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.36 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | KARS1 | Q15046 | 1/20 | 0.35 |
| ▸ | CDC7 | O00311 | 1/20 | 0.35 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.35 |
| ▸ | CDK8 | P49336 | 2/20 | 0.34 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.34 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL275781 | 0.84 | GRM5 (0.43) | MAPTNPC1RAB9AGRM5IDO1 | |
| SCHEMBL275779 | 0.79 | GRM5 (0.43) | MAPTNPC1RAB9AGRM5ALDH1A1 | |
| SCHEMBL3459509 | 0.72 | IDO1 (0.51) | GRM5LIMK1IDO1CHRM4CDK8 | |
| SCHEMBL19830990 | 0.70 | CHRM4 (0.70) | LIMK1IKBKBCHUKCHRM4CDK8 | |
| SCHEMBL8054669 | 0.69 | MAPT (0.43) | MAPTNPC1RAB9AIKBKBIDO1 | |
| SCHEMBL4016458 | 0.67 | IDO1 (0.39) | NPC1RAB9AGRM5IDO1ALDH1A1 | |
| SCHEMBL4016456 | 0.67 | IDO1 (0.39) | GRM5IDO1 | |
| SCHEMBL28888466 | 0.66 | IKBKB (0.38) | MAPTNPC1RAB9ALIMK1IKBKB | |
| SCHEMBL30085742 | 0.64 | ADORA3 (0.36) | LIMK1CHRM4CDK8DAPK3PRKD3 | |
| SCHEMBL284637 | 0.63 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116789648-A | Nitrile-containing antiviral compounds | 辉瑞大药厂 | 2023-09-22 | — | — | CN | disclosed |
| CN-114466838-B | Nitrile-containing antiviral compounds | 辉瑞大药厂 | 2023-05-02 | — | — | CN | disclosed |