Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL2643416 | 0.94 | TSHR (0.41) | MAPTTSHRBDKRB1KDM4EGAA | |
| SCHEMBL2643521 | 0.94 | TSHR (0.41) | MAPTTSHRBDKRB1KDM4EGAA | |
| SCHEMBL2643419 | 0.94 | TSHR (0.41) | MAPTTSHRBDKRB1KDM4EGAA | |
| SCHEMBL15925790 | 0.92 | HTT (0.42) | HTTHDAC6HDAC3HDAC1HDAC2 | |
| SCHEMBL15925793 | 0.92 | HTT (0.42) | HTTHDAC6HDAC3HDAC1HDAC2 | |
| SCHEMBL2663880 | 0.91 | HTT (0.49) | HTTRAB9ATP53CYP1A2CYP3A4 | |
| SCHEMBL15925794 | 0.88 | KMT2A (0.48) | HTTTSHRRAB9AKDM4ECDK5 | |
| SCHEMBL2643961 | 0.88 | HTT (0.46) | HTTMAPTRAB9ATP53CYP1A2 | |
| SCHEMBL2644105 | 0.86 | MAPT (0.46) | HTTMAPTTSHRRAB9ACYP1A2 | |
| SCHEMBL2643590 | 0.85 | MAPT (0.40) | HTTMAPTTSHRKDM4EGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-8796313-B2 | Substituted dihydroisoindolones as allosteric modulators of glucokinase | JANSSEN PHARMACEUTICA N.V. (BE) | 2014-08-05 | — | — | US | disclosed |