Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 3/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | AKR1C3 | P42330 | 10/20 | 0.54 |
| ▸ | AKR1C2 | P52895 | 10/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.54 |
| ▸ | CDC42 | P60953 | 1/20 | 0.54 |
| ▸ | RAC1 | P63000 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | FABP2 | P12104 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8497582 | 0.94 | AKR1C3 (0.59) | APPCYP2C19AKR1C3AKR1C2PTGS2 | |
| SCHEMBL8501466 | 0.91 | AKR1C3 (0.55) | APPCYP2C19AKR1C3AKR1C2PTGS2 | |
| SCHEMBL8501245 | 0.90 | AKR1C3 (0.54) | APPCYP2C19AKR1C3AKR1C2PTGS2 | |
| SCHEMBL8497872 | 0.90 | ESR1 (0.54) | APPCYP2C19AKR1C3AKR1C2PTGS2 | |
| SCHEMBL8497441 | 0.89 | AKR1C3 (0.55) | APPCYP2C19AKR1C3AKR1C2PTGS2 | |
| SCHEMBL8501417 | 0.88 | APP (0.52) | APPCYP2C19AKR1C3AKR1C2PTGS2 | |
| SCHEMBL8502209 | 0.86 | AKR1C3 (0.59) | APPCYP2C19AKR1C3AKR1C2PTGS2 | |
| SCHEMBL8497551 | 0.86 | APP (0.54) | APPCYP2C19AKR1C3AKR1C2PTGS2 | |
| SCHEMBL8501228 | 0.86 | AKR1C3 (0.44) | APPCYP2C19AKR1C3AKR1C2PTGS2 | |
| SCHEMBL8500442 | 0.86 | AKR1C3 (0.52) | APPCYP2C19AKR1C3AKR1C2PTGS2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5916916-A | USEFUL AS SELECTIVE ESTROGEN RECEPTOR MODULATORS. | ELI LILLY AND COMPANY (US) | 1999-06-29 | — | — | US | claimed |
| US-5916916-A | USEFUL AS SELECTIVE ESTROGEN RECEPTOR MODULATORS. | ELI LILLY AND COMPANY (US) | 1999-06-29 | — | — | US | disclosed |