Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | FABP4 | P15090 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL9493285 | 0.90 | FABP4 (0.37) | TSHRCYP3A4MAPK1TDP1ALDH1A1 | |
| SCHEMBL11100320 | 0.87 | TSHR (0.41) | TSHRCYP3A4ALDH1A1LMNAFABP4 | |
| SCHEMBL9493505 | 0.81 | CYP3A4 (0.36) | TSHRCYP3A4ALDH1A1NPSR1 | |
| SCHEMBL10508928 | 0.79 | NT5E (0.39) | ALDH1A1LMNAFABP4NPSR1 | |
| SCHEMBL9492503 | 0.77 | CYP3A4 (0.40) | TSHRCYP3A4MAPK1TDP1ALDH1A1 | |
| SCHEMBL21144535 | 0.71 | MAPT (0.39) | TSHRCYP3A4TDP1ALDH1A1LMNA | |
| SCHEMBL9493152 | 0.70 | NR4A2 (0.46) | TSHRCYP3A4TDP1ALDH1A1LMNA | |
| SCHEMBL11099839 | 0.69 | MAPT (0.35) | TSHRCYP3A4TDP1LMNA | |
| SCHEMBL9493489 | 0.68 | ALDH1A1 (0.43) | TSHRCYP3A4ALDH1A1LMNANPSR1 | |
| SCHEMBL10506369 | 0.68 | CYP3A4 (0.38) | TSHRCYP3A4ALDH1A1NPSR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0113432-B1 | CHLOROMETHYL QUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE | ALKALOIDA VEGYéSZETI GYáR (HU) | 1993-03-17 | — | — | EP | claimed |