Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13259977 | 0.91 | GPBAR1 (0.47) | SMN1; SMN2RAB9AKDM4ENPC1CYP1A2 | |
| SCHEMBL13259978 | 0.87 | GPBAR1 (0.41) | SMN1; SMN2RAB9AKDM4ENPC1CYP1A2 | |
| SCHEMBL13259961 | 0.82 | GPBAR1 (0.47) | SMN1; SMN2RAB9ANPC1GPBAR1HTT | |
| SCHEMBL10229727 | 0.81 | GPBAR1 (0.58) | SMN1; SMN2RAB9AKDM4ENPC1CYP1A2 | |
| SCHEMBL10229673 | 0.77 | HTT (0.48) | SMN1; SMN2RAB9AKDM4ENPC1GPBAR1 | |
| SCHEMBL13259966 | 0.77 | GPBAR1 (0.59) | SMN1; SMN2GPBAR1NPSR1HTTRECQL | |
| SCHEMBL13259015 | 0.76 | GPBAR1 (0.46) | SMN1; SMN2GPBAR1TLR8L3MBTL1TP53 | |
| SCHEMBL13259012 | 0.76 | HTR2C (0.36) | RAB9AGPBAR1L3MBTL1LMNA | |
| SCHEMBL13259018 | 0.75 | GPBAR1 (0.67) | SMN1; SMN2GPBAR1TP53NPSR1HTT | |
| SCHEMBL10229731 | 0.74 | GPBAR1 (0.51) | SMN1; SMN2RAB9AKDM4ENPC1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010093845-A1 | TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY | EXELIXIS, INC. (US) | 2010-08-19 | — | — | WO | disclosed |