Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TERT | O14746 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25752605 | 0.79 | ALDH1A1 (0.41) | KMT2AMEN1ALDH1A1GAAKDM4E | |
| SCHEMBL16587282 | 0.77 | ALDH1A1 (0.40) | KMT2AMEN1ALDH1A1GAAKDM4E | |
| SCHEMBL25752603 | 0.77 | ALDH1A1 (0.40) | KMT2AMEN1ALDH1A1GAAKDM4E | |
| SCHEMBL23563493 | 0.75 | MEN1 (0.34) | KMT2AMEN1ALDH1A1GAAKDM4E | |
| SCHEMBL22889680 | 0.74 | ALDH1A1 (0.38) | KMT2AMEN1ALDH1A1GAAKDM4E | |
| SCHEMBL23563157 | 0.74 | ALDH1A1 (0.38) | KMT2AMEN1ALDH1A1GAAKDM4E | |
| SCHEMBL7003109 | 0.73 | L3MBTL1 (0.39) | KMT2AMEN1ALDH1A1GAAKDM4E | |
| SCHEMBL9804987 | 0.73 | ALDH1A1 (0.55) | KMT2AMEN1ALDH1A1GAAKDM4E | |
| SCHEMBL13376542 | 0.72 | CYP2C9 (0.57) | KMT2AMEN1ALDH1A1GAAKDM4E | |
| SCHEMBL10660840 | 0.71 | — | — |
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-2782579-B1 | PYRAZINE KINASE INHIBITORS | PORTOLA PHARM INC (US) | 2019-01-02 | — | — | EP | disclosed |