Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.57 |
| ▸ | CLK1 | P49759 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25139484 | 0.82 | HRH4 (0.52) | HRH4CLK1DYRK1AROCK1KDM4E | |
| SCHEMBL17324741 | 0.82 | HRH4 (0.61) | HRH4CLK1DYRK1AROCK1KDM4E | |
| SCHEMBL2922016 | 0.81 | KDM4E (0.63) | HRH4KDM4EPOLBMAPTCYP1A2 | |
| SCHEMBL1812266 | 0.80 | HRH4 (0.58) | HRH4CLK1DYRK1AROCK1KDM4E | |
| SCHEMBL12466875 | 0.79 | HRH4 (0.57) | HRH4CLK1DYRK1AROCK1KDM4E | |
| SCHEMBL17321412 | 0.78 | HRH4 (0.57) | HRH4CLK1DYRK1AROCK1KDM4E | |
| SCHEMBL30828868 | 0.78 | HRH4 (0.57) | HRH4CLK1DYRK1AROCK1KDM4E | |
| SCHEMBL30980411 | 0.78 | CYP1A2 (0.61) | HRH4CLK1DYRK1AROCK1KDM4E | |
| SCHEMBL15882239 | 0.78 | HRH4 (0.44) | HRH4CLK1DYRK1AROCK1KDM4E | |
| SCHEMBL31341116 | 0.75 | HRH4 (0.47) | HRH4CLK1DYRK1AROCK1KDM4E |
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-9926282-B2 | Phthalazinones and isoquinolinones as rock inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-03-27 | — | — | US | disclosed |