Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.59 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | PMM2 | O15305 | 1/20 | 0.33 |
| ▸ | MPI | P34949 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL58809 | 0.90 | CYP3A4 (0.70) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL59852 | 0.84 | CYP3A4 (0.48) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| Benzene SCHEMBL28982643 | 0.80 | CYP3A4 (0.45) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL109084 | 0.80 | CYP3A4 (0.48) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL7002811 | 0.78 | CYP3A4 (0.44) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL667517 | 0.76 | CYP3A4 (0.62) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL18568763 | 0.75 | CYP3A4 (0.77) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| Toluene Diisocyanate SCHEMBL29737260 | 0.75 | CYP3A4 (1.00) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL29373346 | 0.75 | CYP3A4 (0.71) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| Toluene Diisocyanate SCHEMBL29350148 | 0.75 | CYP3A4 (1.00) | CYP3A4TRPA1TDP1MAPK1TSHR |
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 |