Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ATR | Q13535 | 10/20 | 0.35 |
| ▸ | ATRIP | Q8WXE1 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8514151 | 0.91 | CYP1A2 (0.40) | CYP1A2ALDH1A1CYP3A4HSD17B10CLK4 | |
| SCHEMBL8511963 | 0.86 | HRH3 (0.45) | CYP1A2ALDH1A1CYP3A4HSD17B10CLK4 | |
| Hydrochloric Acid SCHEMBL8511187 | 0.85 | HRH3 (0.44) | CYP1A2ALDH1A1CYP3A4HSD17B10CLK4 | |
| SCHEMBL8515116 | 0.81 | CYP1A2 (0.40) | CYP1A2ALDH1A1CYP3A4HSD17B10CLK4 | |
| SCHEMBL8514728 | 0.80 | XDH (0.41) | ALDH1A1USP2XDHPIK3CDPIK3CA | |
| SCHEMBL8514640 | 0.79 | ITGB2 (0.41) | CYP1A2ALDH1A1HSD17B10TSHRKDM4E | |
| SCHEMBL8514719 | 0.78 | HRH3 (0.45) | CYP1A2ALDH1A1CYP3A4HSD17B10CLK4 | |
| Hydrochloric Acid SCHEMBL8514774 | 0.77 | HRH3 (0.44) | CYP1A2ALDH1A1CYP3A4HSD17B10CLK4 | |
| SCHEMBL8515012 | 0.72 | XDH (0.39) | CYP1A2ALDH1A1CYP3A4USP2XDH | |
| SCHEMBL8513449 | 0.70 | S1PR1 (0.42) | CYP1A2ALDH1A1CYP3A4HSD17B10CLK4 |
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 | disclosed |