Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | HPRT1 | P00492 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19839301 | 0.88 | RELA (0.50) | ALDH1A1RELAPTGS1MAPTCYP1A2 | |
| SCHEMBL19839341 | 0.73 | HDAC3 (0.43) | ALDH1A1CYP1B1MAPTHPGDMAOA | |
| SCHEMBL8973181 | 0.73 | GABBR2 (0.50) | ALDH1A1CYP1B1MAPTTDP1GABRB2 | |
| SCHEMBL6513848 | 0.73 | GABBR2 (0.50) | ALDH1A1CYP1B1MAPTTDP1GABRB2 | |
| SCHEMBL6513856 | 0.73 | GABBR2 (0.50) | ALDH1A1CYP1B1MAPTTDP1GABRB2 | |
| SCHEMBL8404223 | 0.73 | GABBR2 (0.50) | ALDH1A1CYP1B1MAPTTDP1GABRB2 | |
| SCHEMBL8973184 | 0.73 | GABBR2 (0.50) | ALDH1A1CYP1B1MAPTTDP1GABRB2 | |
| SCHEMBL8972865 | 0.73 | GABBR2 (0.50) | ALDH1A1CYP1B1MAPTTDP1GABRB2 | |
| SCHEMBL8972871 | 0.73 | GABBR2 (0.50) | ALDH1A1CYP1B1MAPTTDP1GABRB2 | |
| SCHEMBL10647680 | 0.72 | RELA (0.70) | ALDH1A1HSD17B10HIF1ACYP1B1RELA |
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-2018026811-A2 | ANTIFUNGAL AGENTS | OHIO STATE INNOVATION FOUNDATION (US) | 2018-02-08 | — | — | WO | disclosed |
| WO-2018026812-A1 | ANTIVIRAL AGENTS | OHIO STATE INNOVATION FOUNDATION (US) | 2018-02-08 | — | — | WO | disclosed |