Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8835513 | 0.85 | TXNRD1 (0.35) | TXNRD1 | |
| SCHEMBL8659071 | 0.84 | TXNRD1 (0.34) | TXNRD1NPSR1 | |
| SCHEMBL8659409 | 0.83 | NPSR1 (0.39) | ALDH1A1NPSR1 | |
| SCHEMBL8655744 | 0.81 | TXNRD1 (0.36) | TXNRD1ALDH1A1HTTNPSR1 | |
| SCHEMBL9198250 | 0.79 | CYP1A2 (0.45) | ALDH1A1NPSR1 | |
| SCHEMBL8671959 | 0.77 | NPSR1 (0.36) | ALDH1A1NPSR1 | |
| SCHEMBL9195994 | 0.76 | ALDH1A1 (0.57) | ALDH1A1NPSR1 | |
| SCHEMBL9156889 | 0.73 | CYP1A2 (0.42) | ALDH1A1NPSR1 | |
| SCHEMBL8835981 | 0.72 | NPSR1 (0.37) | ALDH1A1NPSR1 | |
| SCHEMBL8661354 | 0.72 | NPSR1 (0.35) | ALDH1A1NPSR1 |
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 |