Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.51 |
| ▸ | NPC1 | O15118 | 5/20 | 0.49 |
| ▸ | RAB9A | P51151 | 5/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | JAK1 | P23458 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9382986 | 0.99 | SMN1; SMN2 (0.50) | SMN1; SMN2NPC1RAB9APOLBTDP1 | |
| SCHEMBL8139051 | 0.93 | SMN1; SMN2 (0.53) | SMN1; SMN2NPC1RAB9APOLBTDP1 | |
| SCHEMBL9383756 | 0.88 | NPC1 (0.53) | SMN1; SMN2NPC1RAB9APOLBTDP1 | |
| SCHEMBL9630086 | 0.84 | NOS2 (0.51) | SMN1; SMN2POLBKCNH2KDM4EMAPT | |
| Hydrochloric Acid SCHEMBL9594900 | 0.83 | NOS2 (0.50) | SMN1; SMN2POLBKCNH2KDM4EMAPT | |
| SCHEMBL14775828 | 0.80 | PDE10A (0.44) | SMN1; SMN2KCNH2 | |
| SCHEMBL14775830 | 0.80 | PDE10A (0.44) | SMN1; SMN2KCNH2 | |
| SCHEMBL383139 | 0.79 | NOS2 (0.58) | SMN1; SMN2KCNH2LMNAKDM4EMAPT | |
| SCHEMBL3875180 | 0.78 | ALDH1A1 (0.52) | SMN1; SMN2NPC1RAB9APOLBTDP1 | |
| SCHEMBL5897564 | 0.77 | HTR2B (0.53) | SMN1; SMN2NPC1RAB9APOLBTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0297661-B1 | [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-09-16 | — | — | EP | disclosed |