Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | MPL | P40238 | 2/20 | 0.35 |
| ▸ | ERN1 | O75460 | 2/20 | 0.35 |
| ▸ | SCD | O00767 | 1/20 | 0.34 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.34 |
| ▸ | RBP4 | P02753 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TNF | P01375 | 1/20 | 0.31 |
| ▸ | IL6 | P05231 | 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 | |
|---|---|---|---|---|
| SCHEMBL622545 | 0.81 | ERN1 (0.44) | TDP1MPLERN1HCAR1PIM1 | |
| SCHEMBL28811 | 0.72 | — | — | |
| Benzene SCHEMBL28134422 | 0.70 | PDPK1 (0.39) | ALDH1A1CYP2A6PIM1NR1H2LMNA | |
| Water SCHEMBL27898216 | 0.70 | — | — | |
| SCHEMBL506408 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL4776707 | 0.70 | — | — | |
| SCHEMBL28295847 | 0.70 | — | — | |
| SCHEMBL29918639 | 0.68 | ERN1 (0.41) | ALDH1A1TDP1CYP2A6ERN1PIM1 | |
| SCHEMBL15888908 | 0.66 | NR1H2 (0.45) | ALDH1A1TDP1CYP2A6NR1H2LMNA | |
| SCHEMBL696649 | 0.66 | CTSS (0.48) | TDP1ERN1PIM1PIM3LMNA |
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 |