Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | FABP2 | P12104 | 1/20 | 0.48 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8499813 | 0.93 | AKR1C3 (0.47) | PTGS2AKR1B1AKR1C3AKR1C2PTGS1 | |
| SCHEMBL8497557 | 0.93 | APP (0.54) | PTGS2AKR1B1AKR1C3AKR1C2PTGS1 | |
| SCHEMBL8500442 | 0.92 | AKR1C3 (0.52) | PTGS2AKR1B1AKR1C3AKR1C2PTGS1 | |
| SCHEMBL8499726 | 0.90 | AKR1C3 (0.54) | PTGS2AKR1B1AKR1C3AKR1C2PTGS1 | |
| SCHEMBL8500390 | 0.89 | AKR1C3 (0.58) | PTGS2AKR1B1AKR1C3AKR1C2PTGS1 | |
| SCHEMBL8499781 | 0.81 | ESR1 (0.51) | PTGS2AKR1C3AKR1C2PTGS1TSHR | |
| SCHEMBL8497582 | 0.81 | AKR1C3 (0.59) | PTGS2AKR1C3AKR1C2PTGS1TSHR | |
| SCHEMBL8502209 | 0.81 | AKR1C3 (0.59) | PTGS2AKR1C3AKR1C2PTGS1TSHR | |
| SCHEMBL8501030 | 0.81 | AKR1C3 (0.54) | PTGS2AKR1C3AKR1C2PTGS1TSHR | |
| SCHEMBL8497551 | 0.78 | APP (0.54) | PTGS2AKR1C3AKR1C2PTGS1MEN1 |
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-5916916-A | USEFUL AS SELECTIVE ESTROGEN RECEPTOR MODULATORS. | ELI LILLY AND COMPANY (US) | 1999-06-29 | — | — | US | disclosed |