Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | HMOX1 | P09601 | 1/20 | 0.41 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 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 | 0.80 | SMN1; SMN2 (0.53) | PKMALDH1A1L3MBTL1MEN1KMT2A | |
| SCHEMBL2241291 | 0.79 | KMT2A (0.46) | PKMALDH1A1L3MBTL1MEN1KMT2A | |
| SCHEMBL4773622 | 0.78 | CYP2A6 (0.46) | PKMALDH1A1L3MBTL1CYP3A4CYP2C9 | |
| SCHEMBL4771978 | 0.78 | PTGDR (0.51) | ALDH1A1L3MBTL1MEN1KMT2ACYP3A4 | |
| SCHEMBL4768768 | 0.78 | PTGDR (0.53) | ALDH1A1L3MBTL1MAPK14CYP3A4CYP2C9 | |
| SCHEMBL2238098 | 0.77 | PTGDR (0.53) | PKMALDH1A1L3MBTL1KMT2ACYP3A4 | |
| SCHEMBL2240945 | 0.77 | GBA1 (0.54) | PKMALDH1A1L3MBTL1CYP3A4CYP2C9 | |
| SCHEMBL2237320 | 0.75 | HIF1A (0.47) | PKMALDH1A1L3MBTL1CYP3A4CYP2C9 | |
| SCHEMBL4775842 | 0.74 | CYP3A4 (0.60) | ALDH1A1L3MBTL1CYP3A4CYP2C9SMN1; SMN2 | |
| SCHEMBL4771527 | 0.74 | CYP3A4 (0.55) | PKMALDH1A1L3MBTL1MEN1KMT2A |
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 |