Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 1/20 | 0.50 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.43 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | DRD1 | P21728 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17896377 | 0.83 | MAP4K4 (0.47) | MAP4K4ROCK2ROCK1CDC42BPBCHRM2 | |
| SCHEMBL12090380 | 0.79 | KCNH2 (0.53) | MAP4K4CHRM2CHRM1CHRM3KCNH2 | |
| SCHEMBL3507744 | 0.79 | HRH4 (0.44) | MAP4K4HRH3LMNATSHRHTR6 | |
| SCHEMBL25235377 | 0.76 | MAP4K4 (0.40) | MAP4K4HRH3LMNAVNN1JAK2 | |
| SCHEMBL12090436 | 0.75 | CHRM2 (0.64) | CHRM2CHRM1CHRM3HRH3 | |
| SCHEMBL12090334 | 0.74 | MAP4K4 (0.47) | MAP4K4CHRM2CHRM1CHRM3KCNH2 | |
| SCHEMBL27022433 | 0.74 | MAP4K4 (0.38) | MAP4K4OPRM1LMNA | |
| SCHEMBL23206055 | 0.73 | HRH3 (0.49) | MAP4K4CHRM2CHRM1CHRM3KCNH2 | |
| SCHEMBL13452390 | 0.73 | CHRM2 (0.45) | ROCK2ROCK1CDC42BPBCHRM2CHRM1 | |
| SCHEMBL20893003 | 0.72 | KMT2A (0.50) | TSHRVNN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9382241-B2 | Aminoquinazoline and pyridopyrimidine derivatives | GENENTECH, INC. (US) | 2016-07-05 | — | — | US | disclosed |