Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LSS | P48449 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SLC6A9 | P48067 | 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 | |
|---|---|---|---|---|
| SCHEMBL13486 | 0.88 | DRD3 (0.43) | ALDH1A1KDM4EDRD3SMN1; SMN2SLC6A9 | |
| SCHEMBL10012 | 0.82 | CYP2C9 (0.40) | TDP1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1743 | 0.80 | L3MBTL1 (0.41) | ALDH1A1KDM4EMAPTSMN1; SMN2TSHR | |
| SCHEMBL18597812 | 0.75 | CYP1A2 (0.44) | TDP1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1185 | 0.72 | CYP1A2 (0.44) | TDP1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6483 | 0.71 | CYP1A2 (0.43) | TDP1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1683 | 0.71 | CYP1A2 (0.43) | TDP1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL31612505 | 0.69 | KDM4E (0.64) | CYP1A2CYP2C19ALDH1A1KDM4EMAPT | |
| SCHEMBL13967 | 0.69 | PPARG (0.39) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL5419 | 0.69 | TDP1 (0.41) | TDP1CYP1A2CYP3A4CYP2C9CYP2C19 |
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-2011041462-A2 | POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | AMIRA PHARMACEUTICALS, INC. (US) | 2011-04-07 | — | — | WO | disclosed |