Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | PRKACA | P17612 | 1/20 | 0.45 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.45 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.45 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.44 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | CDK9 | P50750 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 5/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27903083 | 0.90 | DCPS (0.41) | ROCK2PRKACAPRKCDROCK1DYRK1A | |
| SCHEMBL9324642 | 0.82 | POLB (0.45) | ROCK2PRKACAPRKCDROCK1DYRK1A | |
| SCHEMBL1016115 | 0.74 | KCNH2 (0.54) | RAB9AMEN1KMT2A | |
| SCHEMBL17397384 | 0.71 | CDK5 (0.44) | PRKACADYRK1ACCNT1CCNA2CDK2 | |
| SCHEMBL2049025 | 0.70 | POLB (0.47) | ROCK2PRKACAPRKCDROCK1DYRK1A | |
| SCHEMBL1239738 | 0.70 | TAAR1 (0.57) | — | |
| SCHEMBL27886311 | 0.69 | S1PR4 (0.38) | ROCK1RAB9ACDK2 | |
| Hydrochloric Acid SCHEMBL1623693 | 0.69 | TAAR1 (0.55) | — | |
| SCHEMBL15264618 | 0.69 | TAAR1 (0.46) | FFAR1 | |
| SCHEMBL2031729 | 0.69 | POLB (0.48) | ROCK1DCPSGRM4CDK2MEN1 |
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-2516397-B1 | Amino-heteroaryl derivatives as HCN blockers | MERCK SHARP & DOHME (NL) | 2016-07-13 | — | — | EP | disclosed |