Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR52 | Q9Y2T5 | 2/20 | 0.61 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | AURKA | O14965 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.45 |
| ▸ | ABL1 | P00519 | 1/20 | 0.45 |
| ▸ | BCR | P11274 | 1/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL961206 | 0.93 | GPR52 (0.63) | GPR52TP53AURKARAB9ANPC1 | |
| SCHEMBL959859 | 0.92 | GPR52 (0.73) | GPR52TP53AURKARAB9ANPC1 | |
| SCHEMBL12918938 | 0.91 | GPR52 (0.61) | GPR52TP53AURKARAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL958163 | 0.90 | GPR52 (0.60) | GPR52TP53AURKARAB9ANPC1 | |
| SCHEMBL12918937 | 0.89 | GPR52 (0.59) | GPR52TP53AURKARAB9ANPC1 | |
| SCHEMBL959095 | 0.88 | GPR52 (0.59) | GPR52TP53AURKARAB9ANPC1 | |
| SCHEMBL958255 | 0.88 | GPR52 (0.56) | GPR52TP53AURKAMMP13ROCK2 | |
| SCHEMBL961839 | 0.86 | GPR52 (0.57) | GPR52TP53AURKARAB9ANPC1 | |
| SCHEMBL961439 | 0.86 | GPR52 (0.52) | GPR52TP53AURKARAB9AMMP13 | |
| SCHEMBL961496 | 0.86 | SMYD2 (0.56) | GPR52CYP2C9 |
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-2253618-A1 | COMPOUND HAVING 6-MEMBERED AROMATIC RING | Takeda Pharmaceutical Company Limited (JP) | 2010-11-24 | — | — | EP | disclosed |