Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.47 |
| ▸ | APAF1 | O14727 | 2/20 | 0.47 |
| ▸ | APEX1 | P27695 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.47 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.47 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 5/20 | 0.45 |
| ▸ | PPARG | P37231 | 3/20 | 0.45 |
| ▸ | PGR | P06401 | 3/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9666277 | 1.00 | TDP1 (0.47) | TDP1APAF1APEX1LMNATSHR | |
| SCHEMBL9667884 | 0.92 | MAPT (0.43) | TDP1APAF1APEX1LMNATSHR | |
| SCHEMBL9667887 | 0.92 | MAPT (0.43) | TDP1APAF1APEX1LMNATSHR | |
| SCHEMBL11070069 | 0.92 | MAPT (0.43) | TDP1APAF1APEX1LMNATSHR | |
| SCHEMBL9204298 | 0.90 | NR1I2 (0.51) | TDP1APAF1APEX1LMNATSHR | |
| SCHEMBL9370289 | 0.90 | NR1I2 (0.51) | TDP1APAF1APEX1LMNATSHR | |
| SCHEMBL9573659 | 0.88 | NR1I2 (0.52) | TDP1APAF1APEX1LMNATSHR | |
| SCHEMBL10805534 | 0.88 | NR1I2 (0.52) | TDP1APAF1APEX1LMNATSHR | |
| SCHEMBL9573648 | 0.88 | NR1I2 (0.52) | TDP1APAF1APEX1LMNATSHR | |
| SCHEMBL10835577 | 0.88 | NR1I2 (0.51) | TDP1APAF1APEX1LMNATSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5126336-A | ANTIBIOTIC C-3 CATECHOL-SUBSTITUTED CEPHALOSPORIN COMPOUNDS, COMPOSITIONS AND METHOD OF USE THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 1992-06-30 | — | — | US | disclosed |
| EP-0474049-A1 | Antibiotic C-3 catechol-substituted cephalosporin compounds, compositions and use thereof | Bristol-Myers Squibb Company (US) | 1992-03-11 | — | — | EP | disclosed |