Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | CNR1 | P21554 | 4/20 | 0.49 |
| ▸ | CNR2 | P34972 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.42 |
| ▸ | ACACB | O00763 | 1/20 | 0.41 |
| ▸ | ACACA | Q13085 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL494586 | 0.94 | ALDH1A1 (0.59) | ALDH1A1CNR1CNR2MEN1KMT2A | |
| SCHEMBL4563297 | 0.92 | ALDH1A1 (0.52) | ALDH1A1CNR1CNR2MEN1KMT2A | |
| SCHEMBL493765 | 0.83 | ALDH1A1 (0.63) | ALDH1A1CNR1CNR2MEN1KMT2A | |
| SCHEMBL3772656 | 0.81 | ALDH1A1 (0.74) | ALDH1A1CNR1CNR2KMT2AHTT | |
| SCHEMBL493687 | 0.77 | L3MBTL1 (0.51) | ALDH1A1CNR1CNR2KMT2AKDM4E | |
| SCHEMBL6948721 | 0.76 | L3MBTL3 (0.53) | ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL493492 | 0.75 | TDP1 (0.52) | ALDH1A1CNR1CNR2MEN1KMT2A | |
| SCHEMBL693969 | 0.74 | KMT2A (0.66) | MEN1KMT2ACYP2C9CYP2C19OPRD1 | |
| SCHEMBL493454 | 0.74 | CHRNB2 (0.62) | ALDH1A1MEN1KMT2AHTTPIK3CD | |
| Hydrochloric Acid SCHEMBL2591580 | 0.72 | CHRNB2 (0.60) | ALDH1A1MEN1KMT2AHTTPIK3CD |
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-2024354-A1 | 1- [ (4- [BENZOYL (METHYL) AMINO]-3- (PHENYL) BUTYL]AZETIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS 1 | Albireo AB (SE) | 2009-02-18 | — | — | EP | disclosed |
| WO-2007136324-A1 | 1- [ (4- [BENZOYL (METHYL) AMINO] -3- (PHENYL) BUTYL] AZETIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS 1 | ALBIREO AB (SE) | 2007-11-29 | — | — | WO | disclosed |