Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 2/20 | 0.34 |
| ▸ | NOS1 | P29475 | 2/20 | 0.34 |
| ▸ | NOS2 | P35228 | 2/20 | 0.34 |
| ▸ | RAC1 | P63000 | 1/20 | 0.34 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8093597 | 0.93 | CYP3A4 (0.47) | CYP3A4TRPA1MEN1KMT2ACASP3 | |
| SCHEMBL75037 | 0.83 | GABRA1 (0.43) | CYP3A4TRPA1GABRA1GABRB2MEN1 | |
| SCHEMBL29648814 | 0.83 | CYP3A4 (0.47) | CYP3A4TRPA1MEN1KMT2ACASP3 | |
| SCHEMBL75112 | 0.83 | CYP3A4 (0.47) | CYP3A4TRPA1MEN1KMT2ACASP3 | |
| SCHEMBL7728938 | 0.79 | KCNK3 (0.38) | CYP3A4TRPA1MEN1KMT2ANOS3 | |
| SCHEMBL93287 | 0.78 | CYP3A4 (0.64) | CYP3A4TRPA1GABRA1GABRB2MEN1 | |
| SCHEMBL29541215 | 0.78 | CYP3A4 (0.64) | CYP3A4TRPA1GABRA1GABRB2MEN1 | |
| SCHEMBL3460968 | 0.77 | CYP3A4 (0.66) | CYP3A4TRPA1GABRA1GABRB2MEN1 | |
| SCHEMBL30520271 | 0.76 | CYP3A4 (0.63) | CYP3A4TRPA1GABRA1GABRB2MEN1 | |
| SCHEMBL20145 | 0.76 | CYP3A4 (0.63) | CYP3A4TRPA1GABRA1GABRB2MEN1 |
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-1189891-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-03-27 | — | — | EP | disclosed |
| WO-2001000594-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-01-04 | — | — | WO | disclosed |