Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 5/20 | 0.34 |
| ▸ | CA2 | P00918 | 5/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | F11 | P03951 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.34 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 3/20 | 0.34 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.34 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28897192 | 0.85 | ELANE (0.38) | ELANEPRTN3CA1CA2CA9 | |
| SCHEMBL14487909 | 0.82 | ELANE (0.38) | ALDH1A1ELANEPRTN3CA1CA2 | |
| SCHEMBL16207740 | 0.80 | CA1 (0.37) | ELANEPRTN3CA1CA2F2 | |
| SCHEMBL4441787 | 0.77 | CYP2C9 (0.41) | CA1CA2GAACYP2C9CA9 | |
| SCHEMBL19922286 | 0.76 | KMT2A (0.39) | ALDH1A1ELANEPRTN3CA1CA2 | |
| SCHEMBL15598517 | 0.75 | SLC1A3 (0.41) | ALDH1A1GAAL3MBTL1KDM4EUBE2N | |
| SCHEMBL31369076 | 0.74 | KDM4E (0.39) | ELANEPRTN3CA1CA2CA9 | |
| SCHEMBL20899312 | 0.73 | FFAR1 (0.42) | ALDH1A1ELANEPRTN3CA1CA2 | |
| SCHEMBL14857832 | 0.73 | CA1 (0.47) | ALDH1A1ELANEPRTN3CA1CA2 | |
| SCHEMBL21222804 | 0.72 | HTR6 (0.48) | ALDH1A1RAPGEF4L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2815750-A1 | 5-cyano-4-(pyrrolo [2,3b] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors | Vertex Pharmaceuticals Incorporated (US) | 2014-12-24 | — | — | EP | disclosed |