Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | PFKFB4 | Q16877 | 2/20 | 0.40 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.33 |
| ▸ | MIF | P14174 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.30 |
| ▸ | HDAC11 | Q96DB2 | 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 | |
|---|---|---|---|---|
| SCHEMBL3950150 | 0.85 | PFKFB4 (0.41) | HTR6PFKFB4PFKFB3CYP1A2CYP2A6 | |
| SCHEMBL7473168 | 0.77 | HTR6 (0.41) | HTR6 | |
| SCHEMBL788498 | 0.77 | PFKFB4 (0.54) | PFKFB4PFKFB3CYP1A2CYP2A6MCL1 | |
| SCHEMBL13032484 | 0.74 | CYP1A2 (0.42) | PFKFB4PFKFB3CYP1A2CYP2A6MCL1 | |
| SCHEMBL12625529 | 0.74 | CYP1A2 (0.42) | PFKFB4PFKFB3CYP1A2CYP2A6MCL1 | |
| SCHEMBL6957613 | 0.74 | ACLY (0.44) | CYP1A2MCL1MEN1ALDH1A1KMT2A | |
| SCHEMBL181454 | 0.73 | ALDH1A1 (0.46) | CYP1A2CYP2A6MCL1MEN1ALDH1A1 | |
| SCHEMBL13032483 | 0.70 | MCL1 (0.40) | PFKFB4PFKFB3CYP1A2CYP2A6MCL1 | |
| SCHEMBL806073 | 0.69 | PFKFB4 (0.56) | PFKFB4PFKFB3CYP1A2CYP2A6MCL1 | |
| SCHEMBL154899 | 0.69 | SLC40A1 (0.44) | MEN1ALDH1A1KMT2ATDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1228066-A2 | SULFONAMIDE DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 2002-08-07 | — | — | EP | disclosed |
| WO-2001032646-A2 | SULFONAMIDE DERIVATIVES | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-05-10 | — | — | WO | disclosed |