Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTP1 | P09211 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | LTA4H | P09960 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | PGR | P06401 | 2/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.43 |
| ▸ | GCGR | P47871 | 1/20 | 0.43 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.43 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21214803 | 0.83 | CYP1A2 (0.67) | MEN1GAAKMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL30363359 | 0.83 | CYP1A2 (0.67) | MEN1GAAKMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL12295925 | 0.83 | CYP1A2 (0.57) | GAAKMT2ACYP1A2TSHRPTGS2 | |
| SCHEMBL196125 | 0.83 | LTA4H (0.67) | MEN1NPC1GAARAB9AKMT2A | |
| SCHEMBL28298032 | 0.82 | GSTP1 (0.51) | GSTP1MEN1NPC1GAARAB9A | |
| SCHEMBL24476798 | 0.81 | CYP1A2 (0.71) | GSTP1MEN1NPC1GAARAB9A | |
| 1,2-Dichlorobenzene SCHEMBL3984116 | 0.77 | LTA4H (0.57) | MEN1NPC1GAARAB9AKMT2A | |
| SCHEMBL21205975 | 0.77 | CYP1A2 (0.64) | MEN1GAAKMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL27018972 | 0.77 | CYP1A2 (0.58) | GSTP1MEN1NPC1GAARAB9A | |
| Diphenylether SCHEMBL1118926 | 0.76 | LTA4H (0.71) | MEN1NPC1GAARAB9AKMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0752451-B1 | The use of 4,5-dihydro-1H-1,2,3-triazolium cationic compounds as dyestuffs | BAYER AG (DE) | 2001-10-17 | — | — | EP | disclosed |