Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 10/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.33 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL3483555 | 0.73 | CYP2A6 (0.43) | CYP3A4MAPTCYP2A6HTR2B | |
| SCHEMBL4426300 | 0.72 | CYP2A6 (0.46) | CYP2A6 | |
| SCHEMBL7717189 | 0.69 | ERN1 (0.49) | ERN1CYP3A4MAPT | |
| SCHEMBL31351301 | 0.69 | ERN1 (0.49) | ERN1CYP3A4MAPT | |
| SCHEMBL28481670 | 0.68 | TRPA1 (0.41) | CYP3A4MAPTCYP2A6 | |
| SCHEMBL16693080 | 0.68 | CYP2A6 (0.47) | ERN1MAPTCYP2A6 | |
| SCHEMBL841552 | 0.67 | CYP3A4 (0.48) | ERN1CYP3A4MAPT | |
| SCHEMBL3312483 | 0.67 | ERN1 (0.47) | ERN1CYP3A4MAPT | |
| SCHEMBL29111409 | 0.67 | ERN1 (0.56) | ERN1 | |
| SCHEMBL12767716 | 0.67 | ERN1 (0.51) | ERN1CYP3A4MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5770544-A | TRIAZINES | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1998-06-23 | — | — | US | disclosed |
| US-5616537-A | Condensed heterocyclic derivatives and herbicides | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1997-04-01 | — | — | US | disclosed |
| EP-0606489-A1 | CONDENSED HETEROCYCLIC DERIVATIVE AND WEEDKILLER | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1994-07-20 | — | — | EP | disclosed |