Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.33 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.32 |
| ▸ | ALPL | P05186 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.31 |
| ▸ | ICMT | O60725 | 1/20 | 0.31 |
| ▸ | TNF | P01375 | 1/20 | 0.30 |
| ▸ | PDE4A | P27815 | 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 | 0.82 | CYP1A1 (0.37) | CYP1A1CYP3A4L3MBTL1ERBB2IMPDH2 | |
| SCHEMBL2364691 | 0.79 | ICMT (0.44) | CYP1A1CYP3A4L3MBTL1ERBB2IMPDH2 | |
| SCHEMBL2362926 | 0.79 | CYP3A4 (0.43) | CYP1A1CYP3A4L3MBTL1ERBB2ALPL | |
| SCHEMBL2350724 | 0.78 | NAPRT (0.43) | CYP1A1CYP3A4L3MBTL1ERBB2IMPDH2 | |
| SCHEMBL2356500 | 0.78 | CYP3A4 (0.39) | CYP1A1CYP3A4ERBB2ALPL | |
| SCHEMBL13329976 | 0.78 | ADRA2A (0.42) | CYP1A1CYP3A4L3MBTL1ERBB2IMPDH2 | |
| SCHEMBL2363467 | 0.76 | CYP3A4 (0.43) | CYP1A1CYP3A4L3MBTL1ERBB2IMPDH2 | |
| SCHEMBL2363082 | 0.76 | HTR2A (0.44) | CYP1A1CYP3A4L3MBTL1ERBB2IMPDH2 | |
| SCHEMBL3316087 | 0.76 | MAP4K1 (0.38) | CYP1A1CYP3A4L3MBTL1ERBB2IMPDH2 | |
| SCHEMBL2354510 | 0.76 | CYP3A4 (0.41) | CYP1A1CYP3A4L3MBTL1ERBB2IMPDH2 |
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 |