Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | KIF20B | Q96Q89 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | NCF1 | P14598 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | C1R | P00736 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL439770 | 0.87 | BACE1 (0.42) | CYP1A2CYP3A4CYP2C19NOS3NOS2 | |
| SCHEMBL437067 | 0.81 | MAOB (0.46) | PARP1MAOBNOS3NOS2BACE1 | |
| SCHEMBL438239 | 0.78 | ACHE (0.46) | — | |
| SCHEMBL442249 | 0.77 | NPC1 (0.41) | CYP1A2CYP3A4SMN1; SMN2KIF11NFKB1 | |
| SCHEMBL438818 | 0.76 | ALDH1A1 (0.53) | PARP1CYP1A2CYP2C19KDM4EALDH1A1 | |
| SCHEMBL29878151 | 0.75 | ADRB2 (0.51) | PARP1MAOBNOS3NOS2AAK1 | |
| SCHEMBL317413 | 0.75 | ADRB2 (0.51) | PARP1MAOBNOS3NOS2AAK1 | |
| SCHEMBL442268 | 0.75 | ACHE (0.46) | PARP1CYP3A4KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL438932 | 0.75 | ACHE (0.46) | BACE1EGFR | |
| SCHEMBL9591539 | 0.74 | MAOB (0.46) | PARP1MAOBAAK1KIF20BADRB2 |
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-20120065166-A1 | Bone Modulators And Methods Therewith | ESPINA VIRGINIA (US) | 2012-03-15 | — | — | US | disclosed |