Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | JAK1 | P23458 | 6/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LSS | P48449 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.35 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2276033 | 0.89 | JAK1 (0.53) | HTTJAK1CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL2274818 | 0.89 | JAK1 (0.46) | HTTJAK1KMT2ASMN1; SMN2MEN1 | |
| SCHEMBL2276041 | 0.86 | JAK1 (0.48) | JAK1CYP2C19SMN1; SMN2 | |
| SCHEMBL2223730 | 0.84 | JAK1 (0.53) | JAK1CYP2C19 | |
| SCHEMBL2226057 | 0.82 | JAK1 (0.51) | JAK1CYP2C19 | |
| SCHEMBL2276333 | 0.82 | JAK1 (0.52) | JAK1CYP2C19 | |
| SCHEMBL2279026 | 0.82 | JAK1 (0.52) | JAK1CYP2C19KMT2AALDH1A1 | |
| SCHEMBL2274747 | 0.81 | KMT2A (0.48) | HTTJAK1CYP2C19MAPTKMT2A | |
| SCHEMBL2273826 | 0.81 | JAK1 (0.48) | JAK1CYP2C19 | |
| SCHEMBL2275169 | 0.80 | JAK1 (0.47) | JAK1CYP2C19ALDH1A1 |
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-2523957-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | F. Hoffmann-La Roche AG (CH) | 2012-11-21 | — | — | EP | disclosed |
| WO-2011086053-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2011-07-21 | — | — | WO | disclosed |