Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 15/20 | 0.35 |
| ▸ | CTSD | P07339 | 1/20 | 0.35 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30695911 | 0.86 | BACE1 (0.37) | CYP3A4BACE1CTSDBACE2APP | |
| SCHEMBL10440456 | 0.86 | BACE1 (0.37) | CYP3A4BACE1CTSDBACE2APP | |
| SCHEMBL24696890 | 0.86 | BACE1 (0.37) | CYP3A4TSHRMAPK1BACE1CTSD | |
| Hydrochloric Acid SCHEMBL9528218 | 0.81 | PTK2 (0.35) | — | |
| SCHEMBL10497833 | 0.80 | CD44 (0.33) | CD44CYP3A4TSHRMAPK1 | |
| SCHEMBL27397784 | 0.78 | CYP3A4 (0.38) | CYP3A4TSHRMAPK1BACE1CTSD | |
| SCHEMBL9687372 | 0.77 | TSHR (0.44) | CYP3A4TSHRMAPK1ALDH1A1MEN1 | |
| SCHEMBL26618704 | 0.76 | POLB (0.42) | CYP3A4TSHRMAPK1BACE1CTSD | |
| SCHEMBL7815967 | 0.75 | ALDH1A1 (0.46) | CYP3A4TSHRMAPK1ALDH1A1MEN1 | |
| SCHEMBL29739519 | 0.75 | ALDH1A1 (0.46) | CYP3A4TSHRMAPK1ALDH1A1MEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0201575-B1 | NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1992-08-12 | — | — | EP | disclosed |
| US-4686230-A | Picoline derivative useful as gastric acid secretion inhibitors | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1987-08-11 | — | — | US | disclosed |
| EP-0201575-A1 | NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM. | BYK GULDEN LOMBERG CHEM FAB (DE) | 1986-11-20 | — | — | EP | disclosed |
| WO-1986002646-A1 | NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM | BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT M (DE) | 1986-05-09 | — | — | WO | disclosed |