Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 3/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.39 |
| ▸ | RARA | P10276 | 1/20 | 0.39 |
| ▸ | RARB | P10826 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8512804 | 0.86 | RARA (0.49) | CYP1A2CYP3A4ALDH1A1HSD17B10CYP2D6 | |
| SCHEMBL8515571 | 0.76 | CYP1A2 (0.47) | CYP1A2CYP3A4ALDH1A1HSD17B10CYP2D6 | |
| SCHEMBL12633241 | 0.76 | RARA (0.53) | RARARARB | |
| SCHEMBL12959611 | 0.76 | RARA (0.53) | RARARARB | |
| Hydrochloric Acid SCHEMBL8514610 | 0.75 | CYP1A2 (0.46) | CYP1A2CYP3A4ALDH1A1HSD17B10CYP2D6 | |
| SCHEMBL2049616 | 0.74 | HRH3 (0.49) | CYP1A2CYP3A4ALDH1A1HSD17B10CYP2D6 | |
| Hydrochloric Acid SCHEMBL8514877 | 0.74 | HRH3 (0.48) | CYP1A2CYP3A4ALDH1A1HSD17B10CYP2D6 | |
| SCHEMBL2018624 | 0.72 | CYP1A2 (0.43) | CYP1A2CYP3A4ALDH1A1HSD17B10CYP2D6 | |
| SCHEMBL8514253 | 0.72 | NPC1 (0.55) | CYP1A2CYP3A4CYP2D6RARARARB | |
| SCHEMBL2013976 | 0.72 | HRH4 (0.48) | PIM1 |
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-2012069852-A1 | PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE | ALMAC DISCOVERY LIMITED (GB) | 2012-05-31 | — | — | WO | claimed |