Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 7/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 2/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.30 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.30 |
| ▸ | CNR1 | P21554 | 2/20 | 0.30 |
| ▸ | BRPF1 | P55201 | 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 | |
|---|---|---|---|---|
| SCHEMBL22755324 | 0.88 | TSHR (0.41) | TSHRALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL22754859 | 0.83 | SPR (0.45) | TSHRALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL22755346 | 0.82 | CNR2 (0.39) | TSHRALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL22754968 | 0.80 | BTK (0.47) | BTK | |
| SCHEMBL22755241 | 0.78 | AVPR1A (0.51) | TSHRALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL22755315 | 0.78 | BTK (0.45) | TSHRALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL22755103 | 0.77 | ALDH1A1 (0.32) | TSHRALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL22755134 | 0.77 | AVPR1A (0.49) | TPSAB1 | |
| SCHEMBL22754916 | 0.74 | HPGD (0.58) | ALDH1A1HPGDHTT | |
| SCHEMBL22755090 | 0.68 | ATAD2 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3747885-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2020-12-09 | — | — | EP | disclosed |