Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 12/20 | 0.45 |
| ▸ | TEK | Q02763 | 12/20 | 0.45 |
| ▸ | LCK | P06239 | 9/20 | 0.45 |
| ▸ | SRC | P12931 | 4/20 | 0.45 |
| ▸ | HCK | P08631 | 5/20 | 0.40 |
| ▸ | FLT3 | P36888 | 3/20 | 0.40 |
| ▸ | EGFR | P00533 | 2/20 | 0.39 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.39 |
| ▸ | BTK | Q06187 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | RGS12 | O14924 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | LYN | P07948 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20182200 | 0.91 | KDR (0.39) | KDRTEKLCKSRCHCK | |
| SCHEMBL20181890 | 0.91 | KDR (0.44) | KDRTEKLCKSRCHCK | |
| SCHEMBL20182298 | 0.84 | NEK7 (0.38) | KDRTEKLCKSRCRIPK2 | |
| SCHEMBL20182362 | 0.82 | CFTR (0.40) | KDRTEKLCKSRCEGFR | |
| SCHEMBL20182241 | 0.82 | KDR (0.46) | KDRTEKLCKSRCHCK | |
| SCHEMBL20181904 | 0.82 | PDPK1 (0.36) | KDRTEKLCKSRCEGFR | |
| SCHEMBL20181907 | 0.80 | EGFR (0.35) | KDRTEKLCKSRCEGFR | |
| SCHEMBL20182274 | 0.79 | EIF2AK3 (0.40) | KDRTEKLCKSRCEGFR | |
| SCHEMBL20181912 | 0.79 | SRC (0.41) | KDRTEKLCKSRCEGFR | |
| SCHEMBL20182295 | 0.78 | MTOR (0.33) | KDRTEKLCKSRCHCK |
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-2018094137-A1 | PYRROLOPYRIMIDINES AS CFTR POTENTIATORS | CYSTIC FIBROSIS FOUNDATION THERAPEUTICS INC. (US) | 2018-05-24 | — | — | WO | disclosed |