Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 2/20 | 0.35 |
| ▸ | JAK1 | P23458 | 2/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 2/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | UBE2M | P61081 | 1/20 | 0.34 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2274405 | 0.88 | HTT (0.35) | JAK2JAK1TSHRCYP3A4CYP2D6 | |
| SCHEMBL2363705 | 0.84 | JAK1 (0.53) | CHRM4JAK2JAK1 | |
| SCHEMBL2276629 | 0.80 | JAK1 (0.45) | CHRM4JAK2JAK1 | |
| SCHEMBL9952783 | 0.78 | GABRA1 (0.40) | JAK2JAK1CHRM2CHRM3SCN9A | |
| SCHEMBL2277491 | 0.78 | JAK2 (0.46) | JAK2JAK1KDM4EALDH1A1 | |
| SCHEMBL2278420 | 0.78 | JAK2 (0.41) | CHRM4SLC6A5JAK2JAK1NAMPT | |
| Bromomethane SCHEMBL2275707 | 0.76 | JAK1 (0.44) | JAK2JAK1ALDH1A1 | |
| SCHEMBL2275709 | 0.75 | JAK2 (0.43) | JAK2JAK1ALDH1A1 | |
| SCHEMBL2278249 | 0.75 | JAK1 (0.43) | JAK2JAK1KDM4EALDH1A1KMT2A | |
| SCHEMBL2275404 | 0.75 | JAK1 (0.45) | JAK2JAK1KDM4EALDH1A1TSHR |
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 |