Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.43 |
| ▸ | PLK1 | P53350 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | FABP2 | P12104 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL1823851 | 0.79 | CYP2A6 (0.44) | CYP2A6BACE1MEN1KMT2ARAB9A | |
| SCHEMBL2836255 | 0.79 | CYP2A6 (0.48) | CYP2A6PLK1BACE1MEN1KMT2A | |
| SCHEMBL1826512 | 0.78 | CYP2A6 (0.43) | CYP2A6PLK1BACE1CYP2C9CYP2C19 | |
| SCHEMBL2333481 | 0.78 | CYP2A6 (0.43) | CYP2A6BACE1MEN1KMT2ARAB9A | |
| SCHEMBL6370604 | 0.76 | MMP12 (0.44) | AKR1C2AKR1C1 | |
| SCHEMBL10088620 | 0.74 | CYP2A6 (0.40) | CYP2A6PLK1APPALDH1A1MAPT | |
| SCHEMBL31178606 | 0.74 | CYP2A6 (0.40) | CYP2A6PLK1MEN1KMT2ARAB9A | |
| SCHEMBL2836245 | 0.73 | GSTP1 (0.42) | CYP2A6MEN1KMT2ARAB9ACYP2C9 | |
| SCHEMBL11523149 | 0.72 | HSD17B1 (0.49) | BACE1MEN1KMT2ARAB9ACYP2C9 | |
| SCHEMBL10757755 | 0.70 | CYP2A6 (0.51) | CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005003114-A1 | 5-FLUORO-THIOPEN-COMPOUNDS,THE PROCESS FOR THEIR PREPARATION,THE PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS METALLOPOTENASES INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2005-01-13 | — | — | WO | disclosed |