Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3483833 | 0.80 | ESR1 (0.34) | CYP2A6KCNA3 | |
| Hydrochloric Acid SCHEMBL10483651 | 0.79 | CYP2A6 (0.31) | CYP2A6 | |
| SCHEMBL3483738 | 0.77 | TAAR1 (0.38) | CYP2A6 | |
| Hydrochloric Acid SCHEMBL10483744 | 0.74 | — | — | |
| SCHEMBL10483658 | 0.73 | TSHR (0.40) | — | |
| SCHEMBL288465 | 0.71 | ACHE (0.39) | CYP2A6KCNA3 | |
| SCHEMBL31152165 | 0.71 | CYP2A6 (0.39) | CYP2A6 | |
| SCHEMBL3484364 | 0.70 | — | — | |
| SCHEMBL4877866 | 0.67 | CYP2A6 (0.60) | CYP2A6 | |
| SCHEMBL24898065 | 0.65 | — | — |
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 |