Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | RAF1 | P04049 | 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 | |
|---|---|---|---|---|
| SCHEMBL669610 | 0.81 | CSNK2A2 (0.32) | NR1I2CYP2E1 | |
| SCHEMBL670262 | 0.78 | ALDH1A1 (0.33) | ALDH1A1NR1I2CYP2E1 | |
| SCHEMBL669904 | 0.76 | RAF1 (0.43) | NR1I2CYP2E1RAF1 | |
| SCHEMBL671251 | 0.74 | NR1I2 (0.34) | NR1I2CYP2E1RAF1 | |
| SCHEMBL669158 | 0.74 | CYP2E1 (0.33) | KDM4EL3MBTL1NR1I2CYP2E1RAF1 | |
| SCHEMBL668933 | 0.73 | MEN1 (0.38) | NR1I2CYP2E1RAF1 | |
| SCHEMBL675139 | 0.73 | NR1I2 (0.34) | NR1I2CYP2E1RAF1 | |
| SCHEMBL15511618 | 0.73 | NR1I2 (0.35) | NR1I2CYP2E1RAF1 | |
| SCHEMBL10206102 | 0.72 | SMN1; SMN2 (0.39) | KDM4EALDH1A1L3MBTL1HPGDMAPT | |
| SCHEMBL2218876 | 0.70 | NR1I2 (0.33) | KDM4ENR1I2CYP2E1MAPT |
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-2606041-A2 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS | Vertex Pharmaceuticals Incorporated (US) | 2013-06-26 | — | — | EP | disclosed |
| WO-2012024363-A2 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-23 | — | — | WO | disclosed |