Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.35 |
| ▸ | CTSS | P25774 | 3/20 | 0.34 |
| ▸ | CTSK | P43235 | 3/20 | 0.34 |
| ▸ | JAK2 | O60674 | 4/20 | 0.33 |
| ▸ | JAK3 | P52333 | 4/20 | 0.33 |
| ▸ | JAK1 | P23458 | 3/20 | 0.33 |
| ▸ | TYK2 | P29597 | 3/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | FNTA | P49354 | 1/20 | 0.31 |
| ▸ | FNTB | P49356 | 1/20 | 0.31 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.30 |
| ▸ | CDC7 | O00311 | 1/20 | 0.30 |
| ▸ | IDH1 | O75874 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18398264 | 0.86 | JAK2 (0.39) | HRH4CTSSCTSKJAK2JAK3 | |
| SCHEMBL18398298 | 0.81 | CYP1A2 (0.46) | IDH1USP2ALDH1A1LMNATP53 | |
| SCHEMBL18398531 | 0.75 | LMNA (0.36) | HRH4TLR7LMNACYP1A2CYP3A4 | |
| SCHEMBL18398427 | 0.72 | CYP1A2 (0.42) | USP2ALDH1A1LMNATP53CYP1A2 | |
| SCHEMBL18398318 | 0.72 | JAK2 (0.38) | HRH4CTSSCTSKJAK2JAK3 | |
| SCHEMBL18398365 | 0.72 | CYP1A2 (0.42) | IDH1USP2ALDH1A1LMNATP53 | |
| SCHEMBL18398397 | 0.70 | JAK2 (0.49) | CTSSCTSKJAK2JAK3JAK1 | |
| SCHEMBL18409422 | 0.69 | CDK1 (0.42) | TLR7 | |
| SCHEMBL18398561 | 0.69 | CYP1A2 (0.46) | IDH1USP2ALDH1A1LMNATP53 | |
| SCHEMBL18398319 | 0.69 | JAK2 (0.46) | HRH4CTSSCTSKJAK2JAK3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017012647-A1 | NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS | GALAPAGOS NV (BE) | 2017-01-26 | — | — | WO | disclosed |