Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | NPEPPS | P55786 | 7/20 | 0.39 |
| ▸ | ANPEP | P15144 | 6/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8469585 | 0.82 | PDE4A (0.41) | MAPK1ADORA2AADORA2BSMN1; SMN2TP53 | |
| SCHEMBL8469767 | 0.82 | PDE4A (0.41) | MAPK1ADORA2AADORA2BSMN1; SMN2TP53 | |
| SCHEMBL8471132 | 0.82 | ADORA3 (0.56) | ADORA2AADORA2B | |
| SCHEMBL8466924 | 0.77 | MAPK1 (0.46) | CYP1A2CYP2D6MAPK1NPEPPSANPEP | |
| SCHEMBL9035660 | 0.72 | AHCY (0.52) | ADORA2AADORA2BSMN1; SMN2TP53LMNA | |
| SCHEMBL18410860 | 0.72 | MAPK1 (0.60) | CYP1A2CYP2D6MAPK1LMNAHIF1A | |
| SCHEMBL8469441 | 0.72 | AHCY (0.52) | ADORA2AADORA2BSMN1; SMN2TP53LMNA | |
| SCHEMBL9035740 | 0.70 | NT5E (0.41) | SMN1; SMN2TP53LMNAHTT | |
| SCHEMBL8470470 | 0.70 | NT5E (0.41) | SMN1; SMN2TP53LMNAHTT | |
| SCHEMBL6270353 | 0.70 | HIF1A (0.71) | SMN1; SMN2TP53LMNAHIF1AHTT |
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-1992008717-A1 | SUBSTITUTED 1,3-OXATHIOLANES AND SUBSTITUTED 1,3-DITHIOLANES WITH ANTIVIRAL PROPERTIES | BIOCHEM PHARMA INC. (CA) | 1992-05-29 | — | — | WO | disclosed |