Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.34 |
| ▸ | FABP4 | P15090 | 1/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.33 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 4/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.30 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.30 |
| ▸ | AURKA | O14965 | 1/20 | 0.30 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.30 |
| ▸ | JAK2 | O60674 | 1/20 | 0.30 |
| ▸ | PRKD3 | O94806 | 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 | |
|---|---|---|---|---|
| SCHEMBL9497323 | 0.87 | TSHR (0.38) | TSHRCYP3A4FABP4NPSR1LMNA | |
| SCHEMBL9493505 | 0.85 | CYP3A4 (0.36) | TSHRCYP3A4PIK3R2NR4A2NPSR1 | |
| SCHEMBL9493152 | 0.78 | NR4A2 (0.46) | TSHRCYP3A4NR4A2PSMB8PARP1 | |
| SCHEMBL9493285 | 0.77 | FABP4 (0.37) | TSHRCYP3A4FABP4NPSR1LMNA | |
| SCHEMBL21144535 | 0.75 | MAPT (0.39) | TSHRCYP3A4LMNAALDH1A1MEN1 | |
| SCHEMBL11099839 | 0.73 | MAPT (0.35) | TSHRCYP3A4LMNAGAAMEN1 | |
| SCHEMBL9495375 | 0.72 | PPARA (0.44) | TSHRCYP3A4NR4A2NPSR1LMNA | |
| SCHEMBL10508928 | 0.72 | NT5E (0.39) | FABP4NPSR1LMNAGAAALDH1A1 | |
| SCHEMBL11099657 | 0.72 | CRHR1 (0.49) | TSHRCYP3A4NR4A2PARP1LMNA | |
| SCHEMBL9492503 | 0.71 | CYP3A4 (0.40) | TSHRCYP3A4NR4A2NPSR1PARP1 |
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-A1 | Chloromethyl quinoline derivatives, process for their preparation and their use | ALKALOIDA VEGYéSZETI GYáR (HU) | 1984-07-18 | — | — | EP | claimed |