Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.68 |
| ▸ | PPARG | P37231 | 3/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.68 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.68 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.68 |
| ▸ | PPARA | Q07869 | 1/20 | 0.68 |
| ▸ | RORC | P51449 | 8/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.64 |
| ▸ | MEN1 | O00255 | 3/20 | 0.64 |
| ▸ | MAPT | P10636 | 3/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | TP53 | P04637 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | PKM | P14618 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | THPO | P40225 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL3944069 | 0.86 | SMN1; SMN2 (0.68) | SMN1; SMN2PPARGCYP3A4MAPK1ALOX15 | |
| SCHEMBL18147812 | 0.84 | RORC (0.76) | SMN1; SMN2PPARGCYP3A4MAPK1ALOX15 | |
| SCHEMBL18146270 | 0.83 | RORC (0.74) | SMN1; SMN2PPARGCYP3A4MAPK1ALOX15 | |
| SCHEMBL3934331 | 0.83 | SMN1; SMN2 (0.64) | SMN1; SMN2PPARGCYP3A4MAPK1ALOX15 | |
| SCHEMBL3937705 | 0.82 | SMN1; SMN2 (0.82) | SMN1; SMN2PPARGCYP3A4MAPK1ALOX15 | |
| SCHEMBL2128178 | 0.81 | SMN1; SMN2 (1.00) | SMN1; SMN2PPARGCYP3A4MAPK1ALOX15 | |
| SCHEMBL29369085 | 0.81 | SMN1; SMN2 (1.00) | SMN1; SMN2PPARGCYP3A4MAPK1ALOX15 | |
| SCHEMBL7130609 | 0.81 | RORC (0.84) | SMN1; SMN2PPARGCYP3A4MAPK1ALOX15 | |
| Hydrochloric Acid SCHEMBL7125284 | 0.80 | SMN1; SMN2 (0.97) | SMN1; SMN2PPARGCYP3A4MAPK1ALOX15 | |
| SCHEMBL3942317 | 0.80 | JAK2 (0.51) | SMN1; SMN2PPARGCYP3A4MAPK1ALOX15 |
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-1831198-B1 | PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS | ASTRAZENECA AB (SE) | 2009-04-08 | — | — | EP | disclosed |