Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 2/20 | 0.53 |
| ▸ | PFKFB3 | Q16875 | 11/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | JAK2 | O60674 | 2/20 | 0.42 |
| ▸ | JAK3 | P52333 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NSD2 | O96028 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4775378 | 0.78 | MERTK (0.52) | CYP2A6TSHRJAK2JAK3TP53 | |
| SCHEMBL4773025 | 0.78 | CYP2A6 (0.47) | CYP2A6TSHRJAK3TP53SMN1; SMN2 | |
| SCHEMBL4773261 | 0.76 | SYK (0.47) | GBA1CYP2A6TSHRJAK2JAK3 | |
| SCHEMBL4878463 | 0.76 | SYK (0.47) | GBA1CYP2A6TSHRJAK2JAK3 | |
| SCHEMBL4772988 | 0.76 | CYP2A6 (0.45) | GBA1CYP2A6TSHRTP53SMN1; SMN2 | |
| SCHEMBL4775007 | 0.72 | ALDH1A1 (0.38) | CYP2A6TSHRALDH1A1TP53SMN1; SMN2 | |
| SCHEMBL5691101 | 0.72 | PDPK1 (0.53) | TSHRALDH1A1JAK2JAK3TP53 | |
| SCHEMBL28657627 | 0.71 | GBA1 (0.56) | GBA1PFKFB3TSHRALDH1A1JAK2 | |
| SCHEMBL24589930 | 0.71 | CYP2A6 (0.67) | CYP2A6TSHRALDH1A1TP53SMN1; SMN2 | |
| SCHEMBL4775842 | 0.70 | CYP3A4 (0.60) | CYP2A6TSHRALDH1A1SMN1; SMN2KDM4E |
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 |