Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.52 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | PLAU | P00749 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL6958821 | 1.00 | CYP3A4 (0.52) | CYP3A4CYP2D6CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL6958816 | 1.00 | CYP3A4 (0.52) | CYP3A4CYP2D6CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL8668276 | 0.85 | CYP2D6 (0.48) | CYP3A4CYP2D6CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL27536047 | 0.82 | CYP1A1 (0.52) | CYP3A4CYP2D6CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL27513324 | 0.82 | CYP1A1 (0.52) | CYP3A4CYP2D6CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL18059810 | 0.81 | CYP11B1 (0.58) | CYP3A4CYP2D6CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL18059809 | 0.81 | CYP11B1 (0.58) | CYP3A4CYP2D6CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL2355562 | 0.79 | RELA (0.55) | CYP1A2RELAKCNH2PTGS1ALDH1A1 | |
| SCHEMBL28260827 | 0.79 | RELA (0.55) | CYP1A2RELAKCNH2PTGS1ALDH1A1 | |
| SCHEMBL3172752 | 0.78 | CYP11B1 (0.63) | CYP3A4CYP2D6CYP1A1CYP1A2CYP1B1 |
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 |