Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.45 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 8/20 | 0.40 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | FAP | Q12884 | 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 | |
|---|---|---|---|---|
| SCHEMBL10440288 | 0.91 | ESR1 (0.48) | ESR1PTGS1PDE4ACACNA1CELANE | |
| SCHEMBL21081301 | 0.91 | ESR1 (0.48) | ESR1PTGS1PDE4ACACNA1CELANE | |
| SCHEMBL9696757 | 0.90 | ESR1 (0.41) | ESR1PTGS1PDE4ACACNA1CELANE | |
| SCHEMBL9741317 | 0.90 | ESR1 (0.41) | ESR1PTGS1PDE4ACACNA1CELANE | |
| SCHEMBL9696350 | 0.86 | ESR1 (0.47) | ESR1PTGS1PDE4ACACNA1CELANE | |
| SCHEMBL21081300 | 0.86 | ESR1 (0.47) | ESR1PTGS1PDE4ACACNA1CELANE | |
| SCHEMBL9740079 | 0.85 | ESR1 (0.42) | ESR1PTGS1PDE4ACACNA1CELANE | |
| SCHEMBL9696609 | 0.85 | ESR1 (0.42) | ESR1PTGS1PDE4ACACNA1CELANE | |
| SCHEMBL9696611 | 0.82 | CACNA1C (0.49) | ESR1PTGS1PDE4ACACNA1CELANE | |
| SCHEMBL10440510 | 0.82 | CACNA1C (0.40) | ESR1PTGS1PDE4ACACNA1CELANE |
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 |