Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 5/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8694071 | 0.86 | ESR1 (0.40) | ESR1PTGS1PDE4AABCC2HPGD | |
| SCHEMBL8695696 | 0.86 | ESR1 (0.40) | ESR1PTGS1PDE4AABCC2HPGD | |
| SCHEMBL8039652 | 0.86 | ESR1 (0.40) | ESR1PTGS1PDE4AABCC2HPGD | |
| SCHEMBL9836778 | 0.83 | PTGS1 (0.42) | ESR1PTGS1PDE4AABCC2CACNA1C | |
| SCHEMBL9128902 | 0.83 | PTGS1 (0.42) | ESR1PTGS1PDE4AABCC2CACNA1C | |
| SCHEMBL8576696 | 0.83 | PTGS1 (0.42) | ESR1PTGS1PDE4AABCC2CACNA1C | |
| SCHEMBL8699086 | 0.76 | ESR1 (0.31) | ESR1PTGS1PDE4AABCC2 | |
| SCHEMBL8040777 | 0.76 | ESR1 (0.31) | ESR1PTGS1PDE4AABCC2 | |
| SCHEMBL9126535 | 0.76 | PTGS1 (0.39) | ESR1PTGS1PDE4AABCC2CACNA1C | |
| SCHEMBL8437702 | 0.76 | PTGS1 (0.39) | ESR1PTGS1PDE4AABCC2CACNA1C |
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 |
|---|---|---|---|---|---|---|---|
| US-5541317-A | PENICILLIN DERIVATIVES, CYCLIZATION OF ESTERS OR THIOESTERS | SANKYO COMPANY, LIMITED (JP) | 1996-07-30 | — | — | US | disclosed |