Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C2 | P08235 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | ESR1 | P03372 | 2/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 2/20 | 0.43 |
| ▸ | CNR2 | P34972 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Tert-Butylbenzene SCHEMBL66109 | 0.85 | HSD11B1 (0.50) | NR3C2ALDH1A1HSD17B10TDP1MAPK1 | |
| Sulfuric Acid SCHEMBL10625092 | 0.85 | ESR1 (0.60) | NR3C2ALDH1A1ESR1ESR2CYP3A4 | |
| SCHEMBL35881 | 0.84 | ESR1 (0.70) | NR3C2ALDH1A1ESR1ESR2CYP3A4 | |
| SCHEMBL14910456 | 0.84 | ESR1 (0.70) | NR3C2ALDH1A1ESR1ESR2CYP3A4 | |
| Water SCHEMBL27627259 | 0.81 | ESR1 (0.67) | NR3C2ALDH1A1ESR1ESR2CYP3A4 | |
| SCHEMBL7535051 | 0.81 | ESR1 (0.75) | NR3C2ALDH1A1ESR1ESR2CYP3A4 | |
| SCHEMBL7416340 | 0.80 | ALDH1A1 (0.52) | NR3C2ALDH1A1ESR1ESR2CYP3A4 | |
| Bicarbonate SCHEMBL5607713 | 0.79 | ESR1 (0.65) | NR3C2ALDH1A1ESR1ESR2CYP3A4 | |
| Bicarbonate SCHEMBL10822897 | 0.79 | ESR1 (0.65) | NR3C2ALDH1A1ESR1ESR2CYP3A4 | |
| SCHEMBL31563763 | 0.79 | ESR1 (0.58) | NR3C2ALDH1A1ESR1ESR2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0815103-A1 | TRYPSIN AND THROMBIN INHIBITORS | Novartis AG (CH) | 1998-01-07 | — | — | EP | disclosed |
| WO-1996029327-A1 | TRYPSIN AND THROMBIN INHIBITORS | NOVARTIS AG (CH) | 1996-09-26 | — | — | WO | disclosed |