Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | PPARA | Q07869 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 3/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.37 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL11217214 | 0.84 | KMT2A (0.48) | CYP3A4MEN1PTGS1DRD3KMT2A | |
| SCHEMBL28277550 | 0.84 | PPARA (0.47) | CYP3A4MEN1PTGS1DRD3KMT2A | |
| SCHEMBL17057151 | 0.83 | CYP3A4 (0.63) | CYP3A4MEN1PTGS1DRD3KMT2A | |
| SCHEMBL17056905 | 0.83 | TSHR (0.53) | CYP3A4MEN1PTGS1DRD3KMT2A | |
| SCHEMBL6808373 | 0.83 | TTR (0.56) | CYP3A4MEN1PTGS1DRD3KMT2A | |
| SCHEMBL13974085 | 0.81 | PPARA (0.45) | CYP3A4PPARAMAPTSMN1; SMN2L3MBTL1 | |
| SCHEMBL11382828 | 0.78 | MAPT (0.50) | CYP3A4MEN1PTGS1DRD3KMT2A | |
| SCHEMBL28154597 | 0.78 | KMT2A (0.49) | CYP3A4MEN1PTGS1DRD3KMT2A | |
| SCHEMBL24450940 | 0.78 | TTR (0.45) | CYP3A4MEN1PTGS1DRD3KMT2A | |
| SCHEMBL633305 | 0.77 | TPMT (0.52) | CYP3A4MEN1PTGS1DRD3KMT2A |
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-2021222789-A1 | INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-11-04 | — | — | WO | disclosed |