Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM6 | O15303 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 3/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.34 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.34 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.34 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19143729 | 0.79 | ESR1 (0.60) | ESR1APP | |
| SCHEMBL13810540 | 0.75 | BCKDK (0.40) | GRM6ESR1LMNANPC1RAB9A | |
| SCHEMBL18470287 | 0.73 | LMNA (0.42) | ESR1APPLMNAMAPK14MAPT | |
| SCHEMBL13437908 | 0.71 | RAB9A (0.48) | LMNANPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL25079389 | 0.70 | ESR1 (0.80) | ESR1 | |
| SCHEMBL10031393 | 0.68 | NPC1 (0.46) | LMNANPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL145807 | 0.67 | LMNA (0.64) | LMNAMAPK14MAPTMEN1KMT2A | |
| SCHEMBL12603798 | 0.66 | PTGS1 (0.44) | LMNAMAPK14NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL14048418 | 0.66 | TBXAS1 (0.35) | — | |
| SCHEMBL8643567 | 0.66 | TUBB4A (0.58) | ESR1APPNPC1MAPTMEN1 |
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-2958907-B1 | BENZOTHIOPHENE DERIVATIVES AND COMPOSITIONS THEREOF AS SELECTIVE ESTROGEN RECEPTOR DEGRADERS | NOVARTIS AG (CH) | 2018-02-28 | — | — | EP | disclosed |