Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7455051 | 1.00 | HTR3A (0.41) | HTR3AGRIN1GRIN2BPRSS1PRSS2 | |
| SCHEMBL7455813 | 0.98 | PRSS1 (0.40) | HTR3AGRIN1GRIN2BPRSS1PRSS2 | |
| SCHEMBL7455808 | 0.98 | PRSS1 (0.40) | HTR3AGRIN1GRIN2BPRSS1PRSS2 | |
| SCHEMBL7458795 | 0.95 | HTR3A (0.41) | HTR3AGRIN1GRIN2BPRSS1PRSS2 | |
| SCHEMBL7458801 | 0.95 | HTR3A (0.41) | HTR3AGRIN1GRIN2BPRSS1PRSS2 | |
| SCHEMBL7455552 | 0.91 | GRIN2B (0.41) | HTR3AGRIN1GRIN2BALDH1A1HIF1A | |
| SCHEMBL7455546 | 0.91 | GRIN2B (0.41) | HTR3AGRIN1GRIN2BALDH1A1HIF1A | |
| SCHEMBL4838305 | 0.90 | CES2 (0.43) | ALDH1A1ATMMEN1CES1KMT2A | |
| SCHEMBL4838301 | 0.90 | CES2 (0.43) | ALDH1A1ATMMEN1CES1KMT2A | |
| SCHEMBL12075964 | 0.90 | ALDH1A1 (0.41) | HTR3AGRIN1GRIN2BPRSS1PRSS2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0947510-B1 | Process for the preparation of 1,3,4-trisubstituted 1,2,4-triazolium salts | BASF AG (DE) | 2002-02-13 | — | — | EP | disclosed |
| EP-0947510-A1 | Process for the preparation of 1,3,4-trisubstituted 1,2,4-triazolium salts | BASF AKTIENGESELLSCHAFT (DE) | 1999-10-06 | — | — | EP | disclosed |