Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.50 |
| ▸ | USP7 | Q93009 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.35 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.35 |
| ▸ | CTSA | P10619 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22238960 | 0.93 | AMY1A (0.39) | ESR1ESR2APPCYP17A1CYP3A4 | |
| SCHEMBL20806065 | 0.81 | CYP1A1 (0.41) | ESR1ESR2APPCYP3A4AMY1A | |
| SCHEMBL18418556 | 0.79 | PDK2 (0.37) | ESR1ESR2CYP3A4NPC1CYP1A2 | |
| SCHEMBL22022025 | 0.78 | APP (0.45) | ESR1ESR2USP7APPCYP3A4 | |
| SCHEMBL20647417 | 0.78 | ESR2 (0.43) | ESR1ESR2 | |
| SCHEMBL18418551 | 0.77 | PDK2 (0.39) | ESR1ESR2 | |
| SCHEMBL19682268 | 0.73 | APP (0.41) | ESR1ESR2APPCYP3A4CYP11B1 | |
| SCHEMBL21935552 | 0.73 | ESR1 (0.61) | ESR1ESR2 | |
| SCHEMBL16265326 | 0.72 | AHR (0.38) | USP7NPC1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL17694364 | 0.70 | RARB (0.36) | ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20170029702-A1 | LIQUID CRYSTAL MATERIAL | MERCK PATENT GMBH (DE) | 2017-02-02 | — | — | US | disclosed |