Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.81 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | RXRA | P19793 | 5/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP12 | P39900 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.39 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SLC6A9 | P48067 | 3/20 | 0.39 |
| ▸ | RHEB | Q15382 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | BCL2 | P10415 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17296946 | 0.90 | AGBL2 (1.00) | AGBL2CYP2C9CYP2C19HPGDRXRA | |
| SCHEMBL11407313 | 0.87 | AGBL2 (0.62) | AGBL2CYP2C9CYP2C19HPGDRXRA | |
| SCHEMBL11343508 | 0.85 | HPGD (0.65) | AGBL2CYP2C9CYP2C19HPGDMMP2 | |
| SCHEMBL4733549 | 0.85 | AGBL2 (0.59) | AGBL2CYP2C9CYP2C19HPGDMMP2 | |
| SCHEMBL11335380 | 0.83 | AGBL2 (0.56) | AGBL2CYP2C9CYP2C19HPGDMMP2 | |
| SCHEMBL11338926 | 0.83 | AGBL2 (0.56) | AGBL2CYP2C9CYP2C19HPGDMMP2 | |
| SCHEMBL11334600 | 0.82 | MMP2 (0.63) | AGBL2CYP2C9CYP2C19HPGDMMP2 | |
| Fumaric Acid SCHEMBL8535167 | 0.80 | AGBL2 (0.57) | AGBL2RXRAKDM4E | |
| Maleic Acid SCHEMBL8535164 | 0.80 | AGBL2 (0.57) | AGBL2RXRAKDM4E | |
| SCHEMBL4732967 | 0.80 | AGBL2 (0.62) | AGBL2CYP2C9CYP2C19HPGDRXRA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008061029-A1 | ARYL SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE | WYETH (US) | 2008-05-22 | — | — | WO | disclosed |
| US-4243805-A | 3 Fluoro-10-piperazino-8-substituted 10,11-dihydrodibenzo-(bf) thiepins and method for the preparation thereof | SPOFA, SPOJENE PODNIKY PRO ZDRAVOTNICKOU VYROBU (CS) | 1981-01-06 | — | — | US | disclosed |