Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 3/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 3/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GLS | O94925 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 4/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1119861 | 0.88 | DGAT1 (0.47) | KMOMAOBDGAT1MAOANPC1 | |
| SCHEMBL14910114 | 0.85 | KMO (0.42) | KMOMAOBMAOANPC1RAB9A | |
| SCHEMBL14910174 | 0.82 | MAOB (0.51) | KMOMAOBMAOANPC1RAB9A | |
| SCHEMBL23546502 | 0.79 | KMO (0.41) | KMOMAOBMAOANPC1RAB9A | |
| SCHEMBL23348499 | 0.78 | KMO (0.43) | KMOMAOBMAOANPC1RAB9A | |
| SCHEMBL30385717 | 0.77 | KMO (0.48) | KMODGAT1NPC1RAB9AKMT2A | |
| SCHEMBL2318217 | 0.77 | KMO (0.48) | KMODGAT1NPC1RAB9AKMT2A | |
| SCHEMBL13548 | 0.77 | KMO (0.49) | KMONPC1RAB9AGLSEGFR | |
| SCHEMBL23533636 | 0.76 | KMO (0.44) | KMOMAOBMAOANPC1RAB9A | |
| SCHEMBL22463061 | 0.76 | HTR2A (0.42) | KMOMAOBHTR2AHTR2CCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3233828-B1 | ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | HOFFMANN LA ROCHE (CH) | 2020-03-04 | — | — | EP | disclosed |