Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | NT5E | P21589 | 1/20 | 0.44 |
| ▸ | GSK3A | P49840 | 1/20 | 0.42 |
| ▸ | CDK9 | P50750 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 2/20 | 0.35 |
| ▸ | METAP2 | P50579 | 2/20 | 0.35 |
| ▸ | BACE1 | P56817 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30224898 | 1.00 | THRB (0.44) | THRBNT5EGSK3ACDK9CDK5 | |
| SCHEMBL10220696 | 0.81 | GSK3A (0.42) | THRBNT5EGSK3ACDK9CDK5 | |
| SCHEMBL28405956 | 0.79 | GSK3A (0.40) | THRBGSK3ACDK9CDK5TAOK1 | |
| SCHEMBL30619292 | 0.79 | GSK3A (0.40) | THRBGSK3ACDK9CDK5TAOK1 | |
| SCHEMBL5660630 | 0.76 | CYP1A2 (0.48) | KDM4ETRPV4CYP2A6MAPTCYP1A2 | |
| SCHEMBL31391610 | 0.76 | CYP1A2 (0.48) | KDM4ETRPV4CYP2A6MAPTCYP1A2 | |
| SCHEMBL1519794 | 0.75 | GSK3A (0.45) | THRBGSK3ACDK9CDK5TAOK1 | |
| SCHEMBL10220699 | 0.74 | CYP2A6 (0.42) | THRBGSK3ACDK9CDK5TAOK1 | |
| SCHEMBL2117037 | 0.72 | NT5E (0.57) | THRBNT5EKDM4ECYP2A6MEN1 | |
| SCHEMBL133375 | 0.71 | TRPV4 (0.58) | NT5EKDM4ETRPV4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115698009-A | CD73 inhibiting 2,4-dioxopyrimidine compounds | 吉利德科学公司 | 2023-02-03 | — | — | CN | disclosed |