Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | TPMT | P51580 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL14160109 | 0.87 | CYP17A1 (0.38) | CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL9440465 | 0.78 | CYP3A4 (0.52) | CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL24238297 | 0.78 | SMN1; SMN2 (0.48) | CA1CA2 | |
| SCHEMBL14160116 | 0.76 | MLKL (0.40) | CYP3A4ACACBELANE | |
| SCHEMBL9440341 | 0.76 | HTR2A (0.42) | — | |
| SCHEMBL9576929 | 0.72 | HDAC8 (0.41) | CYP3A4GSK3BTPMTCA1CA2 | |
| SCHEMBL21708803 | 0.71 | TPMT (0.38) | GSK3BTPMTACACBCA1CA2 | |
| SCHEMBL11602426 | 0.71 | TPMT (0.38) | GSK3BTPMTACACBCA1CA2 | |
| SCHEMBL9016042 | 0.68 | CYP2D6 (0.41) | CYP3A4CA1CA2 | |
| SCHEMBL1625341 | 0.67 | NOS3 (0.45) | GSK3BTPMTACACBCA1CA2 |
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-20050101063-A1 | Three-terminal field-controlled molecular devices | TOUR JAMES M (US) | 2005-05-12 | — | — | US | disclosed |
| WO-2002035580-A2 | THREE-TERMINAL FIELD-CONTROLLED MOLECULAR DEVICES | MOLECULAR ELECTRONICS CORPORATION (US) | 2002-05-02 | — | — | WO | disclosed |