Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 5/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.30 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL17429553 | 1.00 | ACLY (0.34) | ACLYPIK3CAPIK3CBPIK3CGCYP19A1 | |
| SCHEMBL903682 | 1.00 | ACLY (0.34) | ACLYPIK3CAPIK3CBPIK3CGCYP19A1 | |
| SCHEMBL17429734 | 0.92 | ACLY (0.34) | ACLYCYP19A1 | |
| SCHEMBL17429552 | 0.92 | ACLY (0.34) | ACLYCYP19A1 | |
| SCHEMBL17429555 | 0.92 | CYP19A1 (0.33) | CYP19A1NPC1 | |
| SCHEMBL19318923 | 0.89 | PIK3CA (0.31) | ACLYPIK3CAPIK3CBPIK3CG | |
| SCHEMBL18957722 | 0.86 | MAOB (0.40) | ACLYCYP19A1NPC1 | |
| SCHEMBL18957720 | 0.86 | MAOB (0.40) | ACLYCYP19A1NPC1 | |
| SCHEMBL903687 | 0.86 | ACLY (0.31) | ACLYCYP19A1 | |
| SCHEMBL10217746 | 0.86 | CYP19A1 (0.30) | CYP19A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012041014-A1 | TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |