Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TBXAS1 | P24557 | 9/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.37 |
| ▸ | WNT3A | P56704 | 1/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7666696 | 1.00 | ALDH1A1 (0.39) | ALDH1A1MAPTTBXAS1CYP19A1ESR1 | |
| SCHEMBL7666712 | 1.00 | ALDH1A1 (0.39) | ALDH1A1MAPTTBXAS1CYP19A1ESR1 | |
| SCHEMBL6965475 | 0.93 | ALDH1A1 (0.40) | ALDH1A1MAPTTBXAS1CYP19A1ESR1 | |
| SCHEMBL6965469 | 0.93 | ALDH1A1 (0.40) | ALDH1A1MAPTTBXAS1CYP19A1ESR1 | |
| SCHEMBL6950461 | 0.78 | RARG (0.44) | ALDH1A1TBXAS1CYP19A1ESR1 | |
| SCHEMBL6950456 | 0.78 | RARG (0.44) | ALDH1A1TBXAS1CYP19A1ESR1 | |
| SCHEMBL6950464 | 0.78 | RARG (0.44) | ALDH1A1TBXAS1CYP19A1ESR1 | |
| SCHEMBL6956907 | 0.77 | CYP19A1 (0.51) | TBXAS1CYP19A1 | |
| SCHEMBL6956897 | 0.77 | CYP19A1 (0.51) | TBXAS1CYP19A1 | |
| SCHEMBL6956904 | 0.77 | CYP19A1 (0.51) | TBXAS1CYP19A1 |
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-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 |