Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.54 |
| ▸ | MAOB | P27338 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.51 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.51 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.51 |
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | NQO2 | P16083 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11685143 | 1.00 | HTT (0.55) | HTTALDH1A1CXCL12MAOBMAPK1 | |
| SCHEMBL11683293 | 0.94 | CES2 (0.56) | HTTALDH1A1CXCL12MAOBAKR1C3 | |
| SCHEMBL11683290 | 0.94 | CES2 (0.56) | HTTALDH1A1CXCL12MAOBAKR1C3 | |
| SCHEMBL11686901 | 0.92 | HTT (0.55) | HTTALDH1A1CXCL12MAOBMAPK1 | |
| SCHEMBL11686911 | 0.92 | HTT (0.55) | HTTALDH1A1CXCL12MAOBMAPK1 | |
| SCHEMBL1695650 | 0.86 | ALDH1A1 (0.73) | HTTALDH1A1CXCL12MAOBMAPK1 | |
| SCHEMBL1695651 | 0.86 | ALDH1A1 (0.73) | HTTALDH1A1CXCL12MAOBMAPK1 | |
| SCHEMBL9859751 | 0.84 | HTT (0.60) | HTTALDH1A1MAOBAKR1C3AKR1C2 | |
| SCHEMBL11683312 | 0.81 | CES2 (0.62) | HTTALDH1A1MAOBMAPK1AKR1C1 | |
| SCHEMBL11683310 | 0.81 | CES2 (0.62) | HTTALDH1A1MAOBMAPK1AKR1C1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4038415-A | ENZYME INHIBITORS | NELSON RESEARCH & DEVELOPMENT COMPANY (US) | 1977-07-26 | — | — | US | disclosed |
| US-4016223-A | Prostaglandin dehydrogenase inhibiting agents | NELSON RESEARCH & DEVELOPMENT COMPANY (US) | 1977-04-05 | — | — | US | disclosed |