Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | SSTR5 | P35346 | 5/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.37 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4618581 | 0.87 | NPSR1 (0.43) | RAB9ASMN1; SMN2NPC1CYP1A2CYP2C9 | |
| SCHEMBL4620562 | 0.85 | CHRNB4 (0.44) | CHRNB4CHRNA3SSTR5CYP1A2CYP2C19 | |
| SCHEMBL2207771 | 0.84 | KDM4E (0.45) | CHRNB4CHRNA3RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL4619812 | 0.81 | ALDH1A1 (0.32) | KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL2208234 | 0.76 | CHRNB4 (0.47) | CHRNB4CHRNA3RAB9ANPC1CYP1A2 | |
| SCHEMBL4618771 | 0.74 | FAAH (0.41) | CHRNB4CHRNA3KDM4E | |
| SCHEMBL4619335 | 0.74 | FAAH (0.41) | CHRNB4CHRNA3KDM4E | |
| SCHEMBL2209509 | 0.73 | CHRNB4 (0.45) | CHRNB4CHRNA3SMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL28788636 | 0.72 | SMN1; SMN2 (0.46) | RAB9ASMN1; SMN2NPC1CYP1A2CYP2C9 | |
| SCHEMBL2208848 | 0.72 | ALDH1A1 (0.48) | RAB9ANPC1CYP1A2CYP2C19KDM4E |
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 | disclosed |
| WO-2006136245-A1 | SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS | Grünenthal GmbH (DE) | 2006-12-28 | — | — | WO | disclosed |