Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.33 |
| ▸ | TUBB | P07437 | 2/20 | 0.33 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.33 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.33 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.33 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.33 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.33 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.33 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.33 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.33 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.33 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.33 |
| ▸ | TUBB6 | Q9BUF5 | 2/20 | 0.33 |
| ▸ | TUBB2B | Q9BVA1 | 2/20 | 0.33 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.33 |
| ▸ | PRMT1 | Q99873 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6962105 | 1.00 | CYP2A6 (0.37) | CYP2A6LOXL2TUBB4ATUBBTUBA3C | |
| SCHEMBL6964477 | 0.85 | TUBB4A (0.38) | CYP2A6LOXL2TUBB4ATUBBTUBA3C | |
| SCHEMBL6964469 | 0.85 | TUBB4A (0.38) | CYP2A6LOXL2TUBB4ATUBBTUBA3C | |
| SCHEMBL6824022 | 0.79 | CYP2A6 (0.38) | CYP2A6TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL6824024 | 0.79 | CYP2A6 (0.38) | CYP2A6TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL6959242 | 0.78 | CYP19A1 (0.43) | CYP2A6IDO1 | |
| SCHEMBL6959237 | 0.78 | CYP19A1 (0.43) | CYP2A6IDO1 | |
| SCHEMBL3618744 | 0.75 | CYP2A6 (0.62) | CYP2A6LOXL2SMN1; SMN2NPSR1IDO1 | |
| SCHEMBL3609679 | 0.74 | ITGB2 (0.42) | CYP2A6AKR1B1CHRNA7HTR3AKDM4E | |
| SCHEMBL3609682 | 0.74 | ITGB2 (0.42) | CYP2A6AKR1B1CHRNA7HTR3AKDM4E |
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 |