Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL900914 | 0.84 | — | — | |
| SCHEMBL900412 | 0.73 | — | — | |
| SCHEMBL20019918 | 0.71 | PTGS2 (0.38) | PTGS2CYP3A4NPC1HPGDMAPK1 | |
| SCHEMBL900202 | 0.69 | HTR2A (0.31) | — | |
| SCHEMBL27597569 | 0.64 | PTPRZ1 (0.53) | PTGS2CYP3A4HPGD | |
| SCHEMBL9346671 | 0.63 | HPGD (0.39) | PTGS2CYP3A4NPC1HPGDMAPK1 | |
| SCHEMBL20019783 | 0.62 | HTR2A (0.31) | — | |
| SCHEMBL28869387 | 0.62 | CA2 (0.41) | PTGS2CYP3A4HPGD | |
| SCHEMBL11706110 | 0.62 | ALOX5 (0.31) | — | |
| SCHEMBL16956368 | 0.62 | TRPV1 (0.36) | PTGS2CYP3A4NPC1HPGDMAPK1 |
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 |