Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.43 |
| ▸ | TBXAS1 | P24557 | 5/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.43 |
| ▸ | QPCT | Q16769 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6959242 | 1.00 | CYP19A1 (0.43) | CYP19A1TBXAS1CYP11B1CYP11B2QPCT | |
| SCHEMBL6964137 | 0.83 | CYP11B1 (0.49) | CYP19A1TBXAS1CYP11B1CYP11B2QPCT | |
| SCHEMBL6964147 | 0.83 | CYP11B1 (0.49) | CYP19A1TBXAS1CYP11B1CYP11B2QPCT | |
| SCHEMBL6962098 | 0.78 | CYP2A6 (0.37) | CYP2A6IDO1 | |
| SCHEMBL6962105 | 0.78 | CYP2A6 (0.37) | CYP2A6IDO1 | |
| SCHEMBL6964341 | 0.78 | CYP19A1 (0.46) | CYP19A1TBXAS1CYP11B1CYP11B2 | |
| SCHEMBL6964350 | 0.78 | CYP19A1 (0.46) | CYP19A1TBXAS1CYP11B1CYP11B2 | |
| SCHEMBL6960452 | 0.76 | ROCK1 (0.43) | CYP19A1TBXAS1CYP11B1CYP11B2QPCT | |
| SCHEMBL6960449 | 0.76 | ROCK1 (0.43) | CYP19A1TBXAS1CYP11B1CYP11B2QPCT | |
| SCHEMBL11077323 | 0.75 | ADRA2C (0.49) | CYP19A1TBXAS1CYP11B1CYP11B2CYP2A6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0974584-B1 | FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-01-15 | — | — | EP | disclosed |
| US-6420375-B1 | ANTITUMOR | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-07-16 | — | — | US | disclosed |
| EP-0974584-A1 | FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2000-01-26 | — | — | EP | disclosed |