Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 6/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | XDH | P47989 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.54 |
| ▸ | MGLL | Q99685 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.49 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.49 |
| ▸ | CNR2 | P34972 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9699845 | 0.99 | SMPD1 (0.58) | SMPD1CA12CA1CA2CA7 | |
| SCHEMBL12650499 | 0.95 | CA12 (0.56) | SMPD1CA12CA1CA2CA7 | |
| SCHEMBL7335792 | 0.88 | SMPD1 (0.64) | SMPD1MGLLALDH1A1HPGDCNR2 | |
| SCHEMBL13529206 | 0.87 | CA12 (0.60) | SMPD1CA12CA1CA2CA7 | |
| SCHEMBL9699704 | 0.87 | SMPD1 (0.73) | SMPD1CA12CA1CA2CA7 | |
| SCHEMBL9699106 | 0.87 | SMPD1 (0.73) | SMPD1CA12CA1CA2CA7 | |
| SCHEMBL24950547 | 0.87 | SMPD1 (0.67) | SMPD1MGLLALDH1A1HPGDCNR2 | |
| SCHEMBL9304902 | 0.87 | SMPD1 (0.67) | SMPD1MGLLALDH1A1HPGDCNR2 | |
| SCHEMBL9565566 | 0.87 | SMPD1 (0.67) | SMPD1MGLLALDH1A1HPGDCNR2 | |
| SCHEMBL967401 | 0.87 | SMPD1 (0.67) | SMPD1MGLLALDH1A1HPGDCNR2 |
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 |