Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 2/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 2/20 | 0.36 |
| ▸ | RXRB | P28702 | 2/20 | 0.36 |
| ▸ | RXRG | P48443 | 2/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | CDC25A | P30304 | 1/20 | 0.35 |
| ▸ | CDC25B | P30305 | 1/20 | 0.35 |
| ▸ | HSD17B3 | P37058 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2016698 | 0.92 | BACE1 (0.43) | BACE1APPPARP1KDM1ARXRA | |
| SCHEMBL2223847 | 0.81 | KDM1A (0.43) | BACE1APPPARP1KDM1APDE4B | |
| SCHEMBL2012588 | 0.80 | BACE1 (0.51) | BACE1APPKDM1ARXRARXRB | |
| SCHEMBL17028624 | 0.76 | PGR (0.48) | BACE1APPPARP1KDM1AHSD17B3 | |
| SCHEMBL6674280 | 0.75 | BACE1 (0.47) | BACE1APPKDM1ARXRARXRB | |
| SCHEMBL578812 | 0.74 | KDM1A (0.59) | KDM1ASIGMAR1 | |
| SCHEMBL29556050 | 0.74 | KDM1A (0.59) | KDM1ASIGMAR1 | |
| SCHEMBL17028703 | 0.73 | BACE1 (0.40) | BACE1APPPARP1KDM1APNMT | |
| SCHEMBL19764436 | 0.73 | KDM1A (0.48) | BACE1APPKDM1APNMT | |
| SCHEMBL213183 | 0.73 | SIGMAR1 (0.47) | PARP1KDM1ARXRARXRBRXRG |
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 |
|---|---|---|---|---|---|---|---|
| US-5723620-A | Acetylenes disubstituted with a 5 substituted tetrahydronaphthyl group and with an aryl or heteroaryl groups having retinoid-like biological activity | ALLERGAN (US) | 1998-03-03 | — | — | US | disclosed |