Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 3/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 7/20 | 0.43 |
| ▸ | PIK3CB | P42338 | 3/20 | 0.43 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KDM6A | O15550 | 2/20 | 0.40 |
| ▸ | KDM5A | P29375 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2239971 | 0.81 | SMN1; SMN2 (0.53) | MTORPIK3CACYP3A4CYP2C9LMNA | |
| SCHEMBL4773622 | 0.81 | CYP2A6 (0.46) | CYP3A4CYP2C9ALDH1A1SMN1; SMN2HIF1A | |
| SCHEMBL4769045 | 0.78 | HDAC1 (0.48) | CYP3A4CYP2C9LMNAHIF1AKDM4E | |
| SCHEMBL4775347 | 0.78 | ALDH1A1 (0.51) | CYP3A4CYP2C9LMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL2241291 | 0.77 | KMT2A (0.46) | CYP3A4CYP2C9LMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL2241354 | 0.77 | PIK3CA (0.51) | MTORPIK3CAPIK3CBPIK3CGCYP3A4 | |
| SCHEMBL4774987 | 0.76 | ADORA2A (0.46) | CYP3A4CYP2C9HIF1AKDM4EKDM6A | |
| SCHEMBL11968288 | 0.75 | CLK4 (0.45) | CYP3A4CYP2C9LMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL2238098 | 0.75 | PTGDR (0.53) | PIK3CAPIK3CBPIK3CGCYP3A4CYP2C9 | |
| SCHEMBL2240945 | 0.75 | GBA1 (0.54) | PIK3CAPIK3CBPIK3CGCYP3A4CYP2C9 |
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-1878733-A1 | Pyrimidine derivatives as ALK-5 inhibitors | Novartis AG (CH) | 2008-01-16 | — | — | EP | disclosed |