Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20565401 | 0.75 | ALDH1A1 (0.39) | KDM4EALDH1A1TDP1 | |
| SCHEMBL10974107 | 0.75 | HSD11B1 (0.35) | KDM4EALDH1A1TDP1 | |
| SCHEMBL900169 | 0.75 | ACHE (0.44) | KDM4EALDH1A1TDP1 | |
| SCHEMBL12474321 | 0.75 | TAAR1 (0.31) | — | |
| SCHEMBL900416 | 0.71 | ALDH1A1 (0.32) | KDM4EALDH1A1TDP1 | |
| SCHEMBL900552 | 0.71 | ALOX5AP (0.32) | KDM4EALDH1A1TDP1 | |
| SCHEMBL900895 | 0.70 | TAAR1 (0.32) | — | |
| SCHEMBL900114 | 0.67 | HTR2A (0.30) | — | |
| SCHEMBL476655 | 0.67 | ALDH1A1 (0.38) | KDM4EALDH1A1TDP1 | |
| SCHEMBL1307506 | 0.66 | — | — |
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-2621922-A1 | A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS | BASF SE (DE) | 2013-08-07 | — | — | EP | disclosed |
| WO-2012041858-A1 | A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS | BASF SE (DE) | 2012-04-05 | — | — | WO | disclosed |