Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 10/20 | 0.51 |
| ▸ | CYP17A1 | P05093 | 9/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.36 |
| ▸ | MDH1 | P40925 | 3/20 | 0.36 |
| ▸ | MDH2 | P40926 | 3/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4031593 | 0.88 | CYP17A1 (0.51) | CYP3A4CYP17A1 | |
| SCHEMBL4032515 | 0.87 | CYP17A1 (0.49) | CYP3A4CYP17A1LCK | |
| SCHEMBL4032742 | 0.84 | CYP3A4 (0.65) | CYP3A4CYP17A1 | |
| SCHEMBL5755529 | 0.84 | CYP17A1 (0.46) | CYP3A4CYP17A1 | |
| SCHEMBL4033872 | 0.76 | CYP17A1 (0.33) | CYP3A4CYP17A1 | |
| SCHEMBL4023821 | 0.75 | CYP17A1 (0.49) | CYP3A4CYP17A1 | |
| SCHEMBL15634092 | 0.74 | CYP17A1 (0.47) | CYP3A4CYP17A1 | |
| SCHEMBL4029540 | 0.73 | CYP17A1 (0.54) | CYP3A4CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL4025132 | 0.72 | CYP17A1 (0.66) | CYP3A4CYP17A1 | |
| SCHEMBL4029239 | 0.72 | CYP17A1 (0.66) | CYP3A4CYP17A1 |
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-6800778-B1 | OPTICALLY ACTIVE CYCLIC PHOSPHORUS COMPOUND USED AS REAGENT FOR OPTICAL RESOLUTION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2004-10-05 | — | — | US | disclosed |
| EP-1227085-A1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE DERIVATIVE AND OPTICAL RESOLVER THEREFOR | Takeda Chemical Industries, Ltd. (JP) | 2002-07-31 | — | — | EP | disclosed |