Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.49 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.49 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.49 |
| ▸ | RUNX1 | Q01196 | 1/20 | 0.49 |
| ▸ | CBFB | Q13951 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8236464 | 0.80 | CYP1A2 (0.63) | CYP1A2CYP2C19NPSR1MAPTCHRNB4 | |
| SCHEMBL2390162 | 0.78 | CYP1A2 (0.66) | CYP1A2CYP2C19NPSR1MAPTMEN1 | |
| SCHEMBL7171872 | 0.77 | KDM4E (0.50) | CYP1A2CYP2C19MAPTMEN1KMT2A | |
| SCHEMBL8236459 | 0.75 | CYP1A2 (0.61) | CYP1A2CYP2C19NPSR1MAPTCHRNB4 | |
| SCHEMBL14107049 | 0.74 | TDP1 (0.57) | CYP1A2CYP2C19NPSR1MAPTCHRNB4 | |
| SCHEMBL5861384 | 0.74 | CYP1A2 (1.00) | CYP1A2CYP2C19NPSR1MAPTMEN1 | |
| SCHEMBL1742667 | 0.74 | CYP1A2 (0.81) | CYP1A2CYP2C19NPSR1MAPTMEN1 | |
| SCHEMBL4310997 | 0.73 | CYP1A2 (0.58) | CYP1A2CYP2C19NPSR1MAPTCHRNB4 | |
| SCHEMBL10845230 | 0.72 | NPC1 (0.61) | CYP1A2CYP2C19NPSR1MAPTMEN1 | |
| SCHEMBL15553344 | 0.71 | BRAF (0.58) | CYP1A2CYP2C19NPSR1MAPTKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4599347-A | ANTIULCER AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1986-07-08 | — | — | US | disclosed |
| US-4554280-A | ANTISECRETORY AGENTS, ANTIULCER AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1985-11-19 | — | — | US | disclosed |
| US-4435406-A | 2-PYRIDYL DERIVATIVES OF 1,3-DIOXOLO(4,5-F)BENZIMIDAZOLE RING COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 1984-03-06 | — | — | US | disclosed |