Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | CTNNB1 | P35222 | 4/20 | 0.39 |
| ▸ | WNT3A | P56704 | 4/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | PTPRC | P08575 | 1/20 | 0.36 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.36 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.36 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.33 |
| ▸ | TUBB | P07437 | 1/20 | 0.33 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.33 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.33 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.33 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6958287 | 1.00 | CYP2A6 (0.56) | CYP2A6ALDH1A1CYP3A4RECQLCTNNB1 | |
| SCHEMBL9432076 | 0.83 | CYP2A6 (0.70) | CYP2A6ALDH1A1CTNNB1WNT3ADYRK1A | |
| SCHEMBL9237132 | 0.80 | CYP2A6 (0.53) | CYP2A6CTNNB1WNT3ADYRK1APTPRC | |
| SCHEMBL8648982 | 0.77 | ALDH1A1 (0.63) | ALDH1A1CYP3A4RECQLRHOA | |
| SCHEMBL8648985 | 0.77 | ALDH1A1 (0.63) | ALDH1A1CYP3A4RECQLRHOA | |
| SCHEMBL6598547 | 0.76 | CYP2A6 (0.66) | CYP2A6ALDH1A1CTNNB1WNT3ADYRK1A | |
| SCHEMBL9111666 | 0.74 | CYP2A6 (0.58) | CYP2A6ALDH1A1CTNNB1WNT3ADYRK1A | |
| SCHEMBL9798825 | 0.73 | CYP2A6 (0.57) | CYP2A6CTNNB1WNT3APTPRCPTPN6 | |
| SCHEMBL9798820 | 0.73 | CYP2A6 (0.57) | CYP2A6CTNNB1WNT3APTPRCPTPN6 | |
| SCHEMBL21457940 | 0.72 | CYP2A6 (0.56) | CYP2A6CTNNB1WNT3ADYRK1APTPRC |
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 |