Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 8/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 8/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CDC42 | P60953 | 1/20 | 0.43 |
| ▸ | RAC1 | P63000 | 1/20 | 0.43 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8500328 | 0.95 | AKR1C3 (0.42) | AKR1C3AKR1C2PTGS2PTGS1CYP1A2 | |
| SCHEMBL8501228 | 0.94 | AKR1C3 (0.44) | AKR1C3AKR1C2PTGS2PTGS1CYP1A2 | |
| SCHEMBL8498119 | 0.93 | ESR1 (0.43) | CYP2C19APPSMN1; SMN2KDM4ECYP2C9 | |
| SCHEMBL8500302 | 0.91 | AKR1C3 (0.45) | AKR1C3AKR1C2PTGS2PTGS1CYP1A2 | |
| SCHEMBL8501375 | 0.90 | PPARG (0.41) | CYP2C19APPKDM4EESR1ESR2 | |
| SCHEMBL8501285 | 0.86 | ESR1 (0.48) | ESR1ESR2 | |
| SCHEMBL8497582 | 0.85 | AKR1C3 (0.59) | AKR1C3AKR1C2PTGS2PTGS1CYP1A2 | |
| SCHEMBL8497567 | 0.83 | ESR1 (0.43) | ESR1ESR2 | |
| SCHEMBL8497265 | 0.83 | ESR1 (0.52) | ESR1ESR2 | |
| SCHEMBL8497880 | 0.82 | AKR1C3 (0.61) | AKR1C3AKR1C2PTGS2PTGS1CYP1A2 |
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 |