Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.49 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 4/20 | 0.40 |
| ▸ | CNR2 | P34972 | 4/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11289826 | 0.85 | NR3C2 (0.51) | ALDH1A1NR3C2ESR1ESR2CYP3A4 | |
| SCHEMBL2217011 | 0.83 | ALDH1A1 (0.46) | ALDH1A1HSD17B10TDP1CA1CA2 | |
| SCHEMBL7422495 | 0.82 | TSHR (0.52) | ALDH1A1HSD17B10TDP1NR3C2ESR1 | |
| SCHEMBL8608504 | 0.81 | TSHR (0.50) | ALDH1A1HSD17B10TDP1NR3C2ESR1 | |
| SCHEMBL8608507 | 0.81 | NR3C2 (0.51) | ALDH1A1TDP1NR3C2ESR1ESR2 | |
| SCHEMBL7420437 | 0.80 | NR3C2 (0.57) | ALDH1A1HSD17B10TDP1NR3C2ESR1 | |
| SCHEMBL3584775 | 0.79 | ALDH1A1 (0.44) | ALDH1A1HSD17B10TDP1CYP3A4CA1 | |
| SCHEMBL11438493 | 0.77 | ALDH1A1 (0.48) | ALDH1A1HSD17B10TDP1CYP3A4CA1 | |
| SCHEMBL3684822 | 0.76 | ESR1 (0.67) | ALDH1A1HSD17B10NR3C2ESR1ESR2 | |
| SCHEMBL21726601 | 0.76 | ALDH1A1 (0.52) | ALDH1A1HSD17B10TDP1NR3C2ESR1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0637318-B1 | PEPTIDE DERIVATIVES CORRESPONDING TO THE CARBOXY TERMINAL SEQUENCE OF HIRUDIN | CIBA GEIGY AG (CH) | 1998-04-01 | — | — | EP | disclosed |
| EP-0815103-A1 | TRYPSIN AND THROMBIN INHIBITORS | Novartis AG (CH) | 1998-01-07 | — | — | EP | disclosed |
| US-5686564-A | Peptide derivatives corresponding to the carboxy terminal sequence of hirudin | NOVARTIS CORPORATION (US) | 1997-11-11 | — | — | US | disclosed |
| WO-1996029327-A1 | TRYPSIN AND THROMBIN INHIBITORS | NOVARTIS AG (CH) | 1996-09-26 | — | — | WO | disclosed |
| EP-0637318-A1 | PEPTIDE DERIVATIVES CORRESPONDING TO THE CARBOXY TERMINAL SEQUENCE OF HIRUDIN | Novartis AG (CH) | 1995-02-08 | — | — | EP | disclosed |
| WO-1993022344-A1 | PEPTIDE DERIVATIVES CORRESPONDING TO THE CARBOXY TERMINAL SEQUENCE OF HIRUDIN | CIBA-GEIGY AG (CH) | 1993-11-11 | — | — | WO | disclosed |