Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28360388 | 0.89 | LMNA (0.54) | LMNACYP1A2CYP3A4MAOAMAPT | |
| SCHEMBL15395914 | 0.83 | ESR1 (0.57) | LMNACYP1A2CYP3A4MAOAMAPT | |
| Acetic Acid SCHEMBL3417350 | 0.82 | LMNA (0.58) | LMNAHPGDKMT2ARAB9AL3MBTL1 | |
| SCHEMBL54211 | 0.81 | CA1 (0.70) | LMNACYP1A2CYP3A4MAOAMAPT | |
| SCHEMBL22995612 | 0.79 | HPGD (0.56) | LMNACYP1A2CYP3A4MAOAMAPT | |
| SCHEMBL942572 | 0.79 | PLK1 (0.56) | LMNACYP1A2CYP3A4MAOAMAPT | |
| SCHEMBL1449858 | 0.78 | TDP1 (0.63) | LMNAMAPTHPGDKMT2ARAB9A | |
| SCHEMBL23928021 | 0.78 | ESR1 (0.52) | LMNACYP1A2CYP3A4MAPTHPGD | |
| SCHEMBL23928039 | 0.78 | ESR1 (0.52) | LMNACYP1A2CYP3A4MAPTHPGD | |
| SCHEMBL23928020 | 0.78 | ESR1 (0.52) | LMNACYP1A2CYP3A4MAPTHPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1062562-C | Corticosteroid 17-alkyl carbonate 21-[O]-carboxylic and carbonic esters, processes for their preparation, and pharmaceuticals containing these compounds | HOECHST AG (DE) | 2001-02-28 | — | — | CN | disclosed |
| CN-1105368-A | Corticosteroid 17-alkyl carbonate 21-[O]-carboxylic and carbonic esters, processes for their preparation, and pharmaceuticals containing these compounds | HOECHST AG (DE) | 1995-07-19 | — | — | CN | disclosed |