Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIMK1 | P53667 | 1/20 | 0.42 |
| ▸ | BRAF | P15056 | 5/20 | 0.41 |
| ▸ | PDE4A | P27815 | 5/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3410981 | 0.88 | LIMK1 (0.42) | LIMK1BRAFPDE4APDE4BPDE4C | |
| SCHEMBL3409081 | 0.86 | ADORA2A (0.36) | LIMK1BRAFPDE4APDE4BPDE4C | |
| SCHEMBL3409496 | 0.86 | BRAF (0.40) | LIMK1BRAFPDE4APDE4BPDE4C | |
| SCHEMBL3414240 | 0.84 | BRAF (0.37) | LIMK1BRAFPDE4APDE4BPDE4C | |
| SCHEMBL3414147 | 0.84 | LIMK1 (0.42) | LIMK1MAPTALDH1A1MEN1GAA | |
| SCHEMBL3411178 | 0.84 | LHCGR (0.40) | LIMK1MAPTALDH1A1MEN1GAA | |
| SCHEMBL1176017 | 0.84 | LIMK1 (0.60) | LIMK1BRAFPDE4APDE4BPDE4C | |
| SCHEMBL3409389 | 0.84 | ADORA2A (0.35) | LIMK1BRAFPDE4APDE4BPDE4C | |
| SCHEMBL3413287 | 0.83 | LIMK1 (0.39) | LIMK1MAPTALDH1A1MEN1GAA | |
| SCHEMBL3408796 | 0.83 | IKBKB (0.43) | LIMK1BRAFPDE4APDE4BPDE4C |
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-2260044-A2 | THIENOPYRIMIDINES | Merck Patent GmbH (DE) | 2010-12-15 | — | — | EP | disclosed |
| WO-2009124653-A2 | THIENOPYRIMIDINES | MERCK PATENT GMBH (DE) | 2009-10-15 | — | — | WO | disclosed |