Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 7/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | KYNU | Q16719 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.35 |
| ▸ | MME | P08473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8909445 | 1.00 | CYP2C19 (0.40) | CYP2C19HIF1AKIF11MAPTKMT2A | |
| SCHEMBL4377967 | 0.78 | CYP2C19 (0.46) | CYP2C19HIF1AKIF11MAPTKMT2A | |
| SCHEMBL9755832 | 0.76 | CYP2C19 (0.48) | CYP2C19HIF1AKIF11MAPTKMT2A | |
| SCHEMBL9971684 | 0.75 | CYP2C19 (0.43) | CYP2C19HIF1AKIF11MAPTKMT2A | |
| SCHEMBL4378855 | 0.75 | CYP1A2 (0.50) | CYP2C19HIF1AMAPTKMT2AALDH1A1 | |
| SCHEMBL4375323 | 0.72 | CYP2C19 (0.49) | CYP2C19HIF1AKIF11MAPTKMT2A | |
| SCHEMBL7163321 | 0.71 | CYP1A2 (0.59) | MMECYP1A2 | |
| SCHEMBL7277365 | 0.71 | CYP1A2 (0.59) | MMECYP1A2 | |
| SCHEMBL7269232 | 0.71 | CYP1A2 (0.59) | MMECYP1A2 | |
| SCHEMBL12868288 | 0.70 | HRH1 (0.40) | CYP2C19CNR1CNR2 |
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-5688946-A | DIPEPTIDES FOR HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS | HOFFMANN LA ROCHE INC. (US) | 1997-11-18 | — | — | US | disclosed |