Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 5/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.36 |
| ▸ | MCHR2 | Q969V1 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PARG | Q86W56 | 1/20 | 0.34 |
| ▸ | PLK1 | P53350 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL26817278 | 0.94 | HTR1A (0.36) | HTR1ASIGMAR1MCHR2TP53CYP3A4 | |
| SCHEMBL26817271 | 0.91 | HRH3 (0.40) | HTR1ASIGMAR1HRH3 | |
| SCHEMBL26817285 | 0.83 | GRM2 (0.38) | PARGHRH3 | |
| SCHEMBL26817280 | 0.79 | MCHR1 (0.40) | SIGMAR1HRH3 | |
| SCHEMBL26807679 | 0.75 | DRD2 (0.45) | SIGMAR1DRD2 | |
| SCHEMBL22017134 | 0.74 | ATM (0.38) | SMN1; SMN2 | |
| SCHEMBL26815145 | 0.71 | AR (0.39) | MAPTMAPK1SMN1; SMN2PLK1NPSR1 | |
| SCHEMBL22016170 | 0.70 | KIF11 (0.42) | MAPTMAPK1SMN1; SMN2NPSR1 | |
| SCHEMBL22017359 | 0.66 | KDM4E (0.36) | TP53MAPTSMN1; SMN2PLK1 | |
| SCHEMBL26817066 | 0.64 | ALDH1A1 (0.46) | MAPTMAPK1SMN1; SMN2NPSR1 |
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-2023220741-A1 | ALPHA 4 BETA 7 INTEGRIN MODULATORS AND USES THEREOF | DICE MOLECULES SV, INC. (US) | 2023-11-16 | — | — | WO | disclosed |