Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12676846 | 0.89 | MAOA (0.42) | MAOAHTTHPGDGFERHSD17B10 | |
| SCHEMBL4732184 | 0.88 | MEN1 (0.39) | CYP17A1MEN1HTTKMT2AAGBL2 | |
| SCHEMBL11823803 | 0.85 | AKR1C3 (0.40) | MAOAMEN1KMT2AHPGDHTR2C | |
| SCHEMBL4116118 | 0.81 | MAOA (0.51) | CYP17A1MAOAMEN1HTTKMT2A | |
| SCHEMBL4732228 | 0.79 | MAOA (0.37) | MAOACA1CA2CA12CA4 | |
| SCHEMBL4731681 | 0.78 | CA1 (0.35) | CYP17A1AGBL2CA1CA2HPGD | |
| SCHEMBL11824082 | 0.77 | CYP17A1 (0.37) | CYP17A1MAOACA1CA2 | |
| SCHEMBL11833038 | 0.77 | CYP17A1 (0.37) | CYP17A1MAOAMEN1HTTKMT2A | |
| SCHEMBL11828212 | 0.77 | AKR1C3 (0.43) | MEN1KMT2AHPGDHTR2CCYP3A4 | |
| SCHEMBL4732090 | 0.74 | AGBL2 (0.34) | AGBL2CA1CA2HPGDGFER |
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-2008061029-A1 | ARYL SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE | WYETH (US) | 2008-05-22 | — | — | WO | disclosed |