Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARA | P10276 | 3/20 | 0.49 |
| ▸ | RARB | P10826 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.43 |
| ▸ | RARG | P13631 | 2/20 | 0.43 |
| ▸ | MAPKAPK2 | P49137 | 4/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL8514741 | 0.86 | CYP1A2 (0.53) | RARARARBCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8514253 | 0.84 | NPC1 (0.55) | RARARARBCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8511483 | 0.77 | RARB (0.46) | RARARARBCYP3A4ALDH1A1RARG | |
| SCHEMBL8510213 | 0.76 | RARA (0.50) | RARARARBALDH1A1RARGKDM4E | |
| SCHEMBL31060783 | 0.76 | RARB (0.51) | RARARARBRARGMEN1NPC1 | |
| SCHEMBL8515254 | 0.76 | RARB (0.51) | RARARARBRARGMEN1NPC1 | |
| SCHEMBL8511696 | 0.75 | RARB (0.44) | RARARARBRARGSMN1; SMN2KDM4E | |
| SCHEMBL9612772 | 0.75 | RARB (0.47) | RARARARBCYP3A4RARGMEN1 | |
| Hydrochloric Acid SCHEMBL8515237 | 0.74 | RARB (0.44) | RARARARBRARGSMN1; SMN2KDM4E | |
| SCHEMBL18905348 | 0.74 | CYP2A6 (0.62) | CYP1A2CYP3A4CYP2D6CLK4ALDH1A1 |
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-2012069852-A1 | PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE | ALMAC DISCOVERY LIMITED (GB) | 2012-05-31 | — | — | WO | claimed |
| WO-2012069852-A1 | PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE | ALMAC DISCOVERY LIMITED (GB) | 2012-05-31 | — | — | WO | disclosed |