Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 13/20 | 0.34 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | TEC | P42680 | 1/20 | 0.33 |
| ▸ | TXK | P42681 | 1/20 | 0.33 |
| ▸ | BLK | P51451 | 1/20 | 0.33 |
| ▸ | BMX | P51813 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | ITK | Q08881 | 1/20 | 0.33 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.33 |
| ▸ | KRAS | P01116 | 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 | |
|---|---|---|---|---|
| SCHEMBL22969921 | 1.00 | TSHR (0.38) | TSHRMAPTGAASMN1; SMN2JAK3 | |
| SCHEMBL22969767 | 1.00 | TSHR (0.38) | TSHRMAPTGAASMN1; SMN2JAK3 | |
| SCHEMBL2033628 | 0.86 | — | — | |
| SCHEMBL21544159 | 0.81 | TSHR (0.41) | TSHRMAPTGAASMN1; SMN2JAK3 | |
| SCHEMBL21544320 | 0.81 | TSHR (0.41) | TSHRMAPTGAASMN1; SMN2JAK3 | |
| Dimethylamine SCHEMBL20515125 | 0.80 | TSHR (0.43) | TSHRMAPTGAASMN1; SMN2JAK3 | |
| SCHEMBL25976403 | 0.79 | TSHR (0.39) | TSHRMAPTGAASMN1; SMN2JAK3 | |
| SCHEMBL23323365 | 0.79 | TSHR (0.39) | TSHRMAPTGAASMN1; SMN2JAK3 | |
| SCHEMBL26696602 | 0.78 | TSHR (0.38) | TSHRMAPTGAASMN1; SMN2JAK3 | |
| SCHEMBL22969806 | 0.76 | JAK3 (0.35) | TSHRMAPTGAASMN1; SMN2JAK3 |
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-2022233316-A1 | TWELVE-MEMBERED MACROCYCLIC COMPOUND | 南京明德新药研发有限公司 | 2022-11-10 | — | — | WO | disclosed |