Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCI | P41743 | 1/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | CTNNB1 | P35222 | 7/20 | 0.61 |
| ▸ | WNT3A | P56704 | 7/20 | 0.61 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.47 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | CLK1 | P49759 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8319676 | 1.00 | PRKCI (0.63) | PRKCITSHRCTNNB1WNT3ATAS1R3 | |
| SCHEMBL16742246 | 0.95 | PRKCI (0.61) | PRKCITSHRCTNNB1WNT3ATAS1R3 | |
| SCHEMBL2176489 | 0.91 | PRKCI (0.69) | PRKCITSHRCTNNB1WNT3ATAS1R3 | |
| SCHEMBL29503137 | 0.91 | PRKCI (0.69) | PRKCITSHRCTNNB1WNT3ATAS1R3 | |
| Hydrochloric Acid SCHEMBL28130087 | 0.90 | PRKCI (0.67) | PRKCITSHRCTNNB1WNT3ATAS1R3 | |
| SCHEMBL28332240 | 0.87 | TSHR (0.62) | PRKCITSHRCTNNB1WNT3ANPC1 | |
| Hydrogen Sulfide SCHEMBL27600189 | 0.85 | TSHR (0.60) | PRKCITSHRCTNNB1WNT3ANPC1 | |
| SCHEMBL875455 | 0.85 | CTNNB1 (0.67) | PRKCICTNNB1WNT3ATAS1R3TAS1R1 | |
| SCHEMBL31262479 | 0.85 | CTNNB1 (0.67) | PRKCICTNNB1WNT3ATAS1R3TAS1R1 | |
| SCHEMBL19204501 | 0.83 | PRKCI (0.63) | PRKCITSHRCTNNB1WNT3ATAS1R3 |
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-114555564-B | Antimalarial drugs | 默沙东公司 | 2024-01-30 | — | — | CN | disclosed |
| CN-114555564-A | Antimalarial drugs | 默沙东公司 | 2022-05-27 | — | — | CN | disclosed |