Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM1 | Q13255 | 8/20 | 0.54 |
| ▸ | GRM5 | P41594 | 7/20 | 0.54 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.53 |
| ▸ | CDK9 | P50750 | 4/20 | 0.53 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.53 |
| ▸ | HTR6 | P50406 | 1/20 | 0.47 |
| ▸ | JAK1 | P23458 | 1/20 | 0.46 |
| ▸ | WDR5 | P61964 | 2/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17223000 | 1.00 | GRM1 (0.54) | GRM1GRM5PDK4CDK9CCNT1 | |
| SCHEMBL29813115 | 0.91 | GRM1 (0.54) | GRM1GRM5PDK4CDK9CCNT1 | |
| SCHEMBL17222863 | 0.91 | GRM1 (0.54) | GRM1GRM5PDK4CDK9CCNT1 | |
| SCHEMBL17222992 | 0.88 | CNR1 (0.53) | GRM1GRM5PDK4HTR6JAK1 | |
| SCHEMBL29915673 | 0.88 | CNR1 (0.53) | GRM1GRM5PDK4HTR6JAK1 | |
| SCHEMBL13993112 | 0.87 | GRM1 (0.57) | GRM1GRM5PDK4CDK9CCNT1 | |
| SCHEMBL20503437 | 0.86 | PDK4 (0.51) | GRM1GRM5PDK4CDK9CCNT1 | |
| SCHEMBL29915607 | 0.85 | GRM1 (0.55) | GRM1GRM5PDK4CDK9CCNT1 | |
| SCHEMBL17222999 | 0.85 | GRM1 (0.55) | GRM1GRM5PDK4CDK9CCNT1 | |
| SCHEMBL3326223 | 0.85 | PDK4 (0.65) | GRM1GRM5PDK4HTR6JAK1 |
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-111393434-B | Substituted 4-phenylpiperidines, their preparation and use | 哥伦比亚大学董事会 | 2022-11-04 | — | — | CN | disclosed |