Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.63 |
| ▸ | POLB | P06746 | 1/20 | 0.63 |
| ▸ | RAB9A | P51151 | 1/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.63 |
| ▸ | APP | P05067 | 6/20 | 0.61 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.59 |
| ▸ | MAOB | P27338 | 3/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | BCHE | P06276 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.56 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL553770 | 0.93 | APP (0.69) | NPC1POLBRAB9ASMN1; SMN2APP | |
| SCHEMBL11844522 | 0.87 | LTA4H (0.67) | NPC1POLBRAB9ASMN1; SMN2APP | |
| SCHEMBL791985 | 0.87 | MAOB (0.69) | NPC1POLBRAB9ASMN1; SMN2APP | |
| Benzylphenylether SCHEMBL22314 | 0.85 | LMNA (0.69) | RAB9ASMN1; SMN2APPFFAR1MAOB | |
| SCHEMBL20000873 | 0.84 | APP (0.80) | NPC1POLBRAB9ASMN1; SMN2APP | |
| SCHEMBL23718 | 0.84 | MAOB (0.62) | RAB9ASMN1; SMN2APPMAOBBCHE | |
| SCHEMBL20367158 | 0.84 | GSTP1 (0.63) | NPC1POLBRAB9ASMN1; SMN2APP | |
| SCHEMBL19091938 | 0.84 | GSTP1 (0.63) | NPC1POLBRAB9ASMN1; SMN2APP | |
| SCHEMBL22873 | 0.83 | MAOB (0.70) | RAB9ASMN1; SMN2FFAR1MAOBBCHE | |
| SCHEMBL8845456 | 0.81 | LTA4H (0.63) | NPC1POLBRAB9ASMN1; SMN2APP |
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 |
|---|---|---|---|---|---|---|---|
| EP-2609089-A1 | SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS | Universität des Saarlandes (DE) | 2013-07-03 | — | — | EP | disclosed |
| WO-2012025638-A1 | SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS | Universität des Saarlandes (DE) | 2012-03-01 | — | — | WO | disclosed |