Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CCNC | P24863 | 1/20 | 0.47 |
| ▸ | CDK8 | P49336 | 1/20 | 0.47 |
| ▸ | TTR | P02766 | 1/20 | 0.46 |
| ▸ | DPP4 | P27487 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.45 |
| ▸ | TUBB | P07437 | 2/20 | 0.45 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.45 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.45 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.45 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.45 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.45 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6965215 | 1.00 | CYP2A6 (0.47) | CYP2A6CYP3A4CCNCCDK8TTR | |
| SCHEMBL12809271 | 0.84 | CYP2A6 (0.51) | CYP2A6CCNCCDK8TTRCA12 | |
| SCHEMBL28874860 | 0.84 | CYP2A6 (0.51) | CYP2A6CCNCCDK8TTRCA12 | |
| SCHEMBL6964344 | 0.83 | IDO1 (0.43) | CYP3A4CCNCCDK8TTRDPP4 | |
| SCHEMBL6964345 | 0.83 | IDO1 (0.43) | CYP3A4CCNCCDK8TTRDPP4 | |
| SCHEMBL6965431 | 0.83 | MAPT (0.44) | CYP2A6CYP3A4TTRDPP4CA12 | |
| SCHEMBL29709927 | 0.83 | TTR (0.43) | CYP2A6CYP3A4CCNCCDK8TTR | |
| SCHEMBL6965434 | 0.83 | MAPT (0.44) | CYP2A6CYP3A4TTRDPP4CA12 | |
| SCHEMBL1903001 | 0.81 | CYP2A6 (0.47) | CYP2A6CYP3A4TUBB4ATUBBTUBA3C | |
| SCHEMBL1903000 | 0.81 | CYP2A6 (0.47) | CYP2A6CYP3A4TUBB4ATUBBTUBA3C |
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 4 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 |
| US-5128448-A | Peptide hormones | HOFFMAN-LA ROCHE INC. (US) | 1992-07-07 | — | — | US | disclosed |