Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | GPR6 | P46095 | 2/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1287536 | 0.87 | GPR6 (0.36) | ALOX15GFERADAM17ATMALDH1A1 | |
| SCHEMBL18097542 | 0.82 | ALOX15 (0.39) | ALOX15GFERADAM17ATMALDH1A1 | |
| SCHEMBL13615572 | 0.81 | ALOX15 (0.37) | ALOX15GFERADAM17ATMALDH1A1 | |
| SCHEMBL4677271 | 0.80 | ALOX15 (0.40) | ALOX15GFERADAM17ATMALDH1A1 | |
| SCHEMBL20494966 | 0.80 | ALDH1A1 (0.41) | ALOX15GFERADAM17ATMALDH1A1 | |
| SCHEMBL12474364 | 0.80 | ALOX15 (0.36) | ALOX15GFERADAM17ATMALDH1A1 | |
| SCHEMBL29447917 | 0.78 | TAAR1 (0.44) | — | |
| SCHEMBL27982762 | 0.78 | TAAR1 (0.40) | — | |
| SCHEMBL18585144 | 0.76 | MTNR1B (0.40) | ALOX15GFERADAM17ATMPPARG | |
| SCHEMBL12474306 | 0.76 | GPR6 (0.36) | ALOX15GFERADAM17ATMALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018165520-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VPS-3, INC. (US) | 2018-09-13 | — | — | WO | disclosed |
| EP-3285581-A1 | PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2018-02-28 | — | — | EP | disclosed |
| WO-2016154081-A1 | PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-09-29 | — | — | WO | disclosed |