Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYK2 | P29597 | 4/20 | 0.55 |
| ▸ | JAK2 | O60674 | 3/20 | 0.55 |
| ▸ | JAK1 | P23458 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.51 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.51 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.51 |
| ▸ | EGFR | P00533 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.48 |
| ▸ | ITGA4 | P13612 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28203631 | 0.88 | TYK2 (0.53) | TYK2JAK2JAK1CYP3A4NPC1 | |
| SCHEMBL4154853 | 0.86 | TYK2 (0.71) | TYK2JAK2JAK1CYP3A4MAPT | |
| SCHEMBL3791414 | 0.80 | SMO (0.61) | TYK2JAK2JAK1CYP3A4NPC1 | |
| SCHEMBL2168022 | 0.80 | TYK2 (0.58) | TYK2JAK2JAK1CYP3A4MAPT | |
| SCHEMBL28395047 | 0.79 | ALDH1A1 (0.48) | KMT2AALDH1A1LMNAHPGD | |
| SCHEMBL9884060 | 0.79 | TYK2 (0.75) | TYK2JAK2JAK1CYP3A4TAS1R3 | |
| SCHEMBL14991989 | 0.79 | JAK1 (0.75) | TYK2JAK2JAK1CYP3A4MAPT | |
| SCHEMBL6602761 | 0.79 | TYK2 (0.61) | TYK2JAK2JAK1CYP3A4MAPT | |
| SCHEMBL30230787 | 0.79 | TYK2 (0.75) | TYK2JAK2JAK1CYP3A4TAS1R3 | |
| SCHEMBL2845491 | 0.79 | F2R (0.63) | TYK2JAK2JAK1CYP3A4NPC1 |
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-111635404-B | Preparation method of duloxetine | 苏州明锐医药科技有限公司 | 2023-11-07 | — | — | CN | claimed |
| CN-111635404-A | Preparation method of dovinisine | 苏州明锐医药科技有限公司 | 2020-09-08 | — | — | CN | claimed |