Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 6/20 | 0.61 |
| ▸ | CNR2 | P34972 | 3/20 | 0.53 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.49 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.49 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.49 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28610518 | 0.88 | SMPD1 (0.67) | SMPD1CNR2ALDH1A1HPGD | |
| SCHEMBL28091182 | 0.87 | SMPD1 (0.69) | SMPD1CNR2ALDH1A1HPGDPTPN11 | |
| SCHEMBL10782030 | 0.85 | ALDH1A1 (0.63) | SMPD1ALDH1A1HPGDPTPN11 | |
| SCHEMBL28606187 | 0.84 | SMPD1 (0.56) | SMPD1CNR2ALDH1A1HPGD | |
| SCHEMBL9699845 | 0.83 | SMPD1 (0.58) | SMPD1ALDH1A1HPGD | |
| SCHEMBL15672796 | 0.82 | SMPD1 (0.57) | SMPD1ALDH1A1HPGDPTPN11 | |
| SCHEMBL13693078 | 0.82 | ALDH1A1 (0.59) | ALDH1A1HPGDPTPN11 | |
| SCHEMBL13265181 | 0.81 | SMPD1 (0.55) | SMPD1CNR2ALDH1A1HPGDPTPN11 | |
| SCHEMBL1172844 | 0.80 | THRA (0.65) | SMPD1S1PR1 | |
| SCHEMBL13529206 | 0.80 | CA12 (0.60) | SMPD1CNR2 |
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-108456157-B | 1-substituted benzoyl-4-fatty acyl semicarbazide derivatives, preparation method and application as antibacterial drugs | 中国医学科学院药物研究所 | 2021-07-20 | — | — | CN | disclosed |