Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 2/20 | 0.39 |
| ▸ | ACLY | P53396 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.37 |
| ▸ | PRSS3 | P35030 | 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 | |
|---|---|---|---|---|
| SCHEMBL573280 | 1.00 | VCAM1 (0.45) | VCAM1MAPTGAAERN1ACLY | |
| SCHEMBL11000446 | 0.91 | VCAM1 (0.44) | VCAM1MAPTGAAERN1ALDH1A1 | |
| SCHEMBL11000444 | 0.91 | VCAM1 (0.44) | VCAM1MAPTGAAERN1ALDH1A1 | |
| SCHEMBL21436486 | 0.87 | VCAM1 (0.43) | VCAM1MAPTERN1KDM4EALDH1A1 | |
| SCHEMBL21436487 | 0.87 | VCAM1 (0.43) | VCAM1MAPTERN1KDM4EALDH1A1 | |
| SCHEMBL10222900 | 0.84 | VCAM1 (0.46) | VCAM1MAPTGAAALDH1A1CYP1A2 | |
| SCHEMBL573657 | 0.84 | VCAM1 (0.46) | VCAM1MAPTGAAALDH1A1CYP1A2 | |
| SCHEMBL11511671 | 0.84 | VCAM1 (0.43) | VCAM1MAPTGAAALDH1A1THRB | |
| SCHEMBL574029 | 0.84 | VCAM1 (0.46) | VCAM1MAPTGAAALDH1A1CYP1A2 | |
| SCHEMBL21437398 | 0.83 | MAPT (0.43) | VCAM1MAPTGAAALDH1A1HPGD |
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-2598478-A2 | ARYLSULFONAMIDE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE | Neurotherapeutics Pharma, Inc. (US) | 2013-06-05 | — | — | EP | disclosed |
| WO-2012018635-A2 | ARYLSULFONAMIDE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE | NEUROTHERAPEUTICS PHARMA, INC. (US) | 2012-02-09 | — | — | WO | disclosed |