Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 1/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 1/20 | 1.00 |
| ▸ | MAPT | P10636 | 7/20 | 0.59 |
| ▸ | MEN1 | O00255 | 3/20 | 0.59 |
| ▸ | POLB | P06746 | 3/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | MPI | P34949 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8313566 | 0.87 | CYP1A2 (0.76) | CYP1A2CYP2C9CYP2C19MAPTMEN1 | |
| SCHEMBL15554220 | 0.82 | CYP1A2 (0.70) | CYP1A2CYP2C9CYP2C19MAPTMEN1 | |
| SCHEMBL9687907 | 0.76 | CYP1A2 (0.60) | CYP1A2CYP2C9CYP2C19MAPTMEN1 | |
| SCHEMBL9686802 | 0.76 | CYP1A2 (0.60) | CYP1A2CYP2C9CYP2C19MAPTMEN1 | |
| SCHEMBL10845947 | 0.75 | CYP1A2 (0.60) | CYP1A2CYP2C9CYP2C19MAPTMEN1 | |
| SCHEMBL2887363 | 0.74 | CYP1A2 (0.59) | CYP1A2CYP2C9CYP2C19MAPTMEN1 | |
| SCHEMBL1624146 | 0.74 | MAPT (1.00) | CYP1A2CYP2C9CYP2C19MAPTMEN1 | |
| SCHEMBL30581427 | 0.74 | MAPT (1.00) | CYP1A2CYP2C9CYP2C19MAPTMEN1 | |
| SCHEMBL31000979 | 0.74 | MAPT (1.00) | CYP1A2CYP2C9CYP2C19MAPTMEN1 | |
| SCHEMBL1625389 | 0.74 | MAPT (1.00) | CYP1A2CYP2C9CYP2C19MAPTMEN1 |
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 |