Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | CASP9 | P55211 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PRNP | P04156 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27998211 | 0.80 | TSHR (0.52) | TSHRGAAALDH1A1CASP3CASP7 | |
| SCHEMBL27190416 | 0.79 | AXL (0.55) | TSHRGAAPDE3BPDE3AP2RY12 | |
| SCHEMBL4665845 | 0.77 | PDE3B (0.55) | GAAPDE3BPDE3AP2RY12ALDH1A1 | |
| SCHEMBL15902172 | 0.77 | PDE3B (0.55) | TSHRGAAPDE3BPDE3AP2RY12 | |
| SCHEMBL13247758 | 0.74 | TSHR (0.54) | TSHRGAATDP1ALDH1A1CASP3 | |
| SCHEMBL4611453 | 0.72 | MAOA (0.45) | TSHRNOTUMALDH1A1 | |
| SCHEMBL14721005 | 0.72 | HPGD (0.56) | TSHRGAAPDE3BPDE3AP2RY12 | |
| SCHEMBL15252019 | 0.72 | F9 (0.49) | TSHRALDH1A1CASP3CASP7CASP9 | |
| SCHEMBL4493257 | 0.71 | PTPRC (0.49) | TSHRALDH1A1PTPN1CYP1A2 | |
| SCHEMBL5529529 | 0.71 | GAA (0.74) | GAATDP1ALDH1A1CYP1A2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-117999265-A | Substituted fused bicyclic macrocyclic compounds and related methods of treatment | 阿尔克姆斯有限公司 | 2024-05-07 | — | — | CN | disclosed |