Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 8/20 | 0.56 |
| ▸ | AKR1C2 | P52895 | 8/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.56 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.56 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.56 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.56 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.56 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.56 |
| ▸ | FABP2 | P12104 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.56 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.56 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.56 |
| ▸ | HTR2C | P28335 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL11851177 | 0.88 | AKR1C3 (0.69) | AKR1C3AKR1C2PTGS2PTGS1CYP2C19 | |
| SCHEMBL1072964 | 0.88 | AKR1C3 (0.69) | AKR1C3AKR1C2PTGS2PTGS1CYP2C19 | |
| SCHEMBL29867575 | 0.88 | AKR1C3 (0.69) | AKR1C3AKR1C2PTGS2PTGS1CYP2C19 | |
| Flurbiprofen SCHEMBL8878244 | 0.86 | AKR1C3 (0.78) | AKR1C3AKR1C2PTGS2PTGS1CYP2C19 | |
| SCHEMBL7035917 | 0.80 | APP (0.67) | AKR1C3AKR1C2PTGS2PTGS1CYP2C19 | |
| SCHEMBL7035918 | 0.80 | APP (0.67) | AKR1C3AKR1C2PTGS2PTGS1CYP2C19 | |
| SCHEMBL8877378 | 0.77 | LMNA (0.62) | AKR1C3AKR1C2PTGS2PTGS1CYP2C19 | |
| SCHEMBL6188617 | 0.76 | GRIA4 (0.50) | AKR1C3AKR1C2PTGS2PTGS1CYP2C19 | |
| SCHEMBL10705388 | 0.75 | MAOB (0.53) | AKR1C3AKR1C2PTGS2PTGS1CYP2C19 | |
| SCHEMBL2357849 | 0.75 | NPSR1 (0.54) | AKR1C3AKR1C2PTGS2PTGS1CYP2C19 |
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-5681964-A | POLYETHYLENE GLYCOL ESTER PRODRUGS CONTAINING ANTIVIRAL, IMMUNOMODULATOR, ANTI-TUMOR AND ANTI-NEOVASCULARIZATION COMPOUNDS | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 1997-10-28 | — | — | US | disclosed |