Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3649852 | 0.77 | CYP3A4 (0.46) | CYP3A4TSHRCA1CA2CSNK2A1 | |
| SCHEMBL7575949 | 0.76 | CYP3A4 (0.36) | CYP3A4TSHRMRGPRX4CA1CA2 | |
| SCHEMBL9447561 | 0.76 | MEN1 (0.44) | CYP3A4TSHRMRGPRX4CA1CA2 | |
| SCHEMBL236764 | 0.73 | CYP3A4 (0.46) | CYP3A4TSHRMRGPRX4CA1CA2 | |
| SCHEMBL30140163 | 0.73 | CYP3A4 (0.46) | CYP3A4TSHRMRGPRX4CA1CA2 | |
| SCHEMBL11307249 | 0.73 | CYP3A4 (0.39) | CYP3A4TSHRMRGPRX4CA1CA2 | |
| SCHEMBL28351619 | 0.73 | MEN1 (0.42) | CYP3A4TSHRMRGPRX4CA1CA2 | |
| SCHEMBL4964188 | 0.70 | ALDH1A1 (0.45) | CYP3A4TSHRCA1CA2CSNK2A1 | |
| SCHEMBL10702989 | 0.70 | PDE7A (0.41) | ALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL2103199 | 0.70 | CSNK2A1 (0.61) | CYP3A4TSHRCA1CA2CSNK2A1 |
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-1207869-A2 | ANTIMYCOTIC DRUG | Novartis AG (CH) | 2002-05-29 | — | — | EP | claimed |
| WO-2001015684-A2 | ANTIMYCOTIC DRUG | NOVARTIS AG (CH) | 2001-03-08 | — | — | WO | claimed |
| EP-1080722-A1 | Antimycotic compositions | Novartis AG (CH) | 2001-03-07 | — | — | EP | claimed |
| EP-1207869-A2 | ANTIMYCOTIC DRUG | Novartis AG (CH) | 2002-05-29 | — | — | EP | disclosed |
| WO-2001015684-A2 | ANTIMYCOTIC DRUG | NOVARTIS AG (CH) | 2001-03-08 | — | — | WO | disclosed |
| EP-1080722-A1 | Antimycotic compositions | Novartis AG (CH) | 2001-03-07 | — | — | EP | disclosed |