Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.40 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.36 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9741317 | 1.00 | ESR1 (0.41) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL9696446 | 0.90 | ESR1 (0.45) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL9696790 | 0.89 | ELANE (0.37) | ESR1PTGS1PDE4ACACNA1CTBXAS1 | |
| SCHEMBL9696256 | 0.86 | ESR1 (0.43) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL10440557 | 0.84 | TBXAS1 (0.39) | ESR1PTGS1PDE4ACACNA1CTBXAS1 | |
| SCHEMBL9695348 | 0.83 | ESR1 (0.42) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL9696273 | 0.82 | ELANE (0.40) | ALDH1A1ELANEPKMKDM4E | |
| SCHEMBL21081301 | 0.81 | ESR1 (0.48) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL10440288 | 0.81 | ESR1 (0.48) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL9695363 | 0.80 | CACNA1C (0.44) | ESR1PTGS1PDE4ACACNA1CABCC2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5116833-A | ANTIBIOTIC C-3 DITHIOACETAL-SUBSTITUTED CARBAPENEM COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 1992-05-26 | — | — | US | claimed |
| EP-0481511-A2 | Antibiotic C-3 dithioacetal-substituted carbapenem compounds, compositions, and use thereof | Bristol-Myers Squibb Company (US) | 1992-04-22 | — | — | EP | claimed |
| US-5116833-A | ANTIBIOTIC C-3 DITHIOACETAL-SUBSTITUTED CARBAPENEM COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 1992-05-26 | — | — | US | disclosed |
| EP-0481511-A2 | Antibiotic C-3 dithioacetal-substituted carbapenem compounds, compositions, and use thereof | Bristol-Myers Squibb Company (US) | 1992-04-22 | — | — | EP | disclosed |