Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 7/20 | 0.39 |
| ▸ | AKT2 | P31751 | 5/20 | 0.39 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PTGIR | P43119 | 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 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 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 | |
|---|---|---|---|---|
| SCHEMBL16487768 | 0.91 | AKT1 (0.40) | AKT1AKT2ALDH1A1PTGIRHDAC3 | |
| SCHEMBL3710794 | 0.88 | AKT1 (0.51) | AKT1AKT2ALDH1A1 | |
| SCHEMBL2969432 | 0.85 | GABRA2 (0.47) | AKT1AKT2ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL3704625 | 0.82 | AKT1 (0.47) | PTGS2AKT1AKT2ALDH1A1 | |
| SCHEMBL538030 | 0.80 | AKT1 (0.54) | AKT1AKT2 | |
| SCHEMBL3705896 | 0.80 | AKT1 (0.38) | AKT1AKT2ALDH1A1HDAC3HDAC4 | |
| SCHEMBL3706276 | 0.80 | GRM5 (0.34) | PTGS1PTGS2AKT1AKT2ALDH1A1 | |
| SCHEMBL2977680 | 0.78 | AKT1 (0.48) | AKT1AKT2ALDH1A1 | |
| SCHEMBL2967139 | 0.76 | KDM4E (0.41) | AKT1AKT2ALDH1A1PTGIR | |
| SCHEMBL2974749 | 0.72 | AKT1 (0.47) | AKT1AKT2ALDH1A1 |
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-2050748-A1 | Novel fused pyrimidines | Bayer Schering Pharma Aktiengesellschaft (DE) | 2009-04-22 | — | — | EP | disclosed |