Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | IKBKB | O14920 | 1/20 | 0.30 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2349673 | 0.83 | CYP1A1 (0.37) | CYP3A4NPC1RAB9ATYK2L3MBTL1 | |
| SCHEMBL2128919 | 0.74 | CYP3A4 (0.52) | CYP3A4TYK2NAPRTL3MBTL1IKBKB | |
| SCHEMBL2364691 | 0.73 | ICMT (0.44) | CYP3A4L3MBTL1CD274 | |
| SCHEMBL2354432 | 0.72 | KDM4E (0.40) | CYP3A4NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL2350724 | 0.72 | NAPRT (0.43) | CYP3A4KDM4EALDH1A1NAPRTL3MBTL1 | |
| SCHEMBL2363082 | 0.70 | HTR2A (0.44) | CYP3A4KDM4EALDH1A1GAAL3MBTL1 | |
| SCHEMBL2363467 | 0.70 | CYP3A4 (0.43) | CYP3A4KDM4EALDH1A1GAAMAPT | |
| SCHEMBL2354510 | 0.70 | CYP3A4 (0.41) | CYP3A4KDM4EGAAL3MBTL1 | |
| SCHEMBL3316087 | 0.70 | MAP4K1 (0.38) | CYP3A4NAPRTMAPTMEN1KMT2A | |
| SCHEMBL2362083 | 0.70 | PLK1 (0.38) | CYP3A4KDM4EALDH1A1GAAMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2350007-A1 | HETEROCYCLIC ANTIVIRAL ARYLPYRIDONE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010049331-A1 | HETEROCYCLIC ANTIVIRAL ARYLPYRIDONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-05-06 | — | — | WO | disclosed |