Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2209482 | 0.94 | GAA (0.35) | NPC1RAB9AKDM4EGAACHRNB4 | |
| SCHEMBL4640438 | 0.78 | NPC1 (0.39) | NPC1RAB9AKDM4ECHRNB4CHRNA3 | |
| SCHEMBL4621179 | 0.72 | SCD5 (0.39) | NPC1RAB9AKDM4ECHRNB4CHRNA3 | |
| SCHEMBL2206353 | 0.71 | CHRNB4 (0.34) | NPC1RAB9AKDM4EGAACHRNB4 | |
| SCHEMBL10210782 | 0.68 | CHRNB4 (0.38) | KDM4ECHRNB4CHRNA3ALDH1A1MAPK1 | |
| SCHEMBL10168567 | 0.65 | CHRNB4 (0.36) | CHRNB4CHRNA3MAPK1CYP2C9 | |
| SCHEMBL2205238 | 0.64 | KDM4E (0.37) | KDM4EGAAALDH1A1MAPT | |
| SCHEMBL17300431 | 0.64 | NPC1 (0.39) | NPC1KDM4EALDH1A1SMN1; SMN2CYP2C9 | |
| SCHEMBL4641139 | 0.64 | CHRNB4 (0.37) | GAACHRNB4CHRNA3ALDH1A1TP53 | |
| SCHEMBL4640975 | 0.62 | CHRNB4 (0.49) | CHRNB4CHRNA3CYP2C9KCNH2TRPM8 |
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-1888542-A1 | SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS | Grünenthal GmbH (DE) | 2008-02-20 | — | — | EP | claimed |
| WO-2006136245-A1 | SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS | Grünenthal GmbH (DE) | 2006-12-28 | — | — | WO | claimed |