Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.45 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6136160 | 0.94 | ESR1 (0.44) | ESR1ESR2PDK1PDK2HDAC1 | |
| SCHEMBL6136130 | 0.90 | ESR1 (0.41) | ESR1ESR2PDK1TP53PDK2 | |
| SCHEMBL6136242 | 0.90 | ESR1 (0.47) | ESR1ESR2PDK1MAPTTP53 | |
| SCHEMBL6136061 | 0.90 | ESR1 (0.41) | ESR1ESR2PDK1HDAC1HDAC6 | |
| SCHEMBL6136101 | 0.83 | ESR1 (0.46) | ESR1ESR2PDK1HDAC1HDAC6 | |
| SCHEMBL6136146 | 0.82 | SMN1; SMN2 (0.52) | ESR1ESR2HDAC1HDAC6ROCK2 | |
| SCHEMBL6136002 | 0.80 | ESR1 (0.43) | ESR1ESR2PDK1MAPTHDAC1 | |
| SCHEMBL6136079 | 0.79 | ESR1 (0.42) | ESR1ESR2PDK1MEN1KMT2A | |
| SCHEMBL6136103 | 0.79 | ESR1 (0.45) | ESR1ESR2MAPTROCK2CYP3A4 | |
| SCHEMBL6136484 | 0.79 | ESR1 (0.44) | ESR1ESR2HDAC1HDAC6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0895989-B1 | 1-[4-(Substituted alkoxy)benzyl] naphthalene compounds having estrogen inhibitory activity | LILLY CO ELI (US) | 2005-05-18 | — | — | EP | disclosed |
| US-6509356-B1 | Estrogen inhibitory activity method for the treatment of breast cancer in a woman comprising administering to a patient a therapeutically effective amount of a compound | ELI LILLY AND COMPANY | 2003-01-21 | — | — | US | disclosed |
| WO-1999007377-A1 | 1-[4-(SUBSTITUTED ALKOXY)BENZYL]NAPHTHALENE COMPOUNDS HAVING ESTROGEN INHIBITORY ACTIVITY | ELI LILLY AND COMPANY (US) | 1999-02-18 | — | — | WO | disclosed |
| EP-0895989-A1 | 1-[4-(Substituted alkoxy)benzyl] naphthalene compounds having estrogen inhibitory activity | ELI LILLY AND COMPANY (US) | 1999-02-10 | — | — | EP | disclosed |