Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.40 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | BTK | Q06187 | 2/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.39 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.39 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | TACR3 | P29371 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19624967 | 0.81 | ALDH1A1 (0.40) | PRMT5WDR77NPC1RAB9ACYP1A2 | |
| SCHEMBL19533570 | 0.78 | ALPL (0.49) | ADORA3NPC1RAB9ASMN1; SMN2DHODH | |
| SCHEMBL30040683 | 0.75 | PIN1 (0.56) | NPC1RAB9ACYP1A2SMN1; SMN2BTK | |
| SCHEMBL1593197 | 0.75 | PIN1 (0.56) | NPC1RAB9ACYP1A2SMN1; SMN2BTK | |
| SCHEMBL11143982 | 0.74 | PTGS2 (0.57) | NPC1RAB9ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL19544670 | 0.74 | MAPT (0.66) | NPC1RAB9ASMN1; SMN2PTGS2TACR3 | |
| SCHEMBL4379584 | 0.73 | MEN1 (0.62) | MAP4K4NPC1RAB9ASMN1; SMN2TNK2 | |
| SCHEMBL28001241 | 0.73 | LTA4H (0.50) | MAP4K4NPC1RAB9ACYP1A2CYP2C9 | |
| SCHEMBL9905372 | 0.73 | XDH (0.59) | PRMT5NPC1RAB9ACYP1A2CYP2C19 | |
| SCHEMBL1528307 | 0.73 | RAB9A (0.54) | ADORA3MAP4K4NPC1RAB9ACYP1A2 |
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-112409331-B | Heterocyclic derivative inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2024-02-20 | — | — | CN | disclosed |
| CN-112409331-A | Heterocyclic derivative inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2021-02-26 | — | — | CN | disclosed |