Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 13/20 | 0.66 |
| ▸ | AKR1C2 | P52895 | 13/20 | 0.66 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.48 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.48 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.48 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.48 |
| ▸ | NCSTN | Q92542 | 3/20 | 0.48 |
| ▸ | APH1A | Q96BI3 | 3/20 | 0.48 |
| ▸ | PSENEN | Q9NZ42 | 3/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | APP | P05067 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | FABP2 | P12104 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2844333 | 0.81 | AKR1C3 (0.59) | AKR1C3AKR1C2PTGS1PTGS2PSEN1 | |
| SCHEMBL1372793 | 0.80 | AKR1C3 (1.00) | AKR1C3AKR1C2PTGS1PTGS2PSEN1 | |
| SCHEMBL2848165 | 0.79 | AKR1C3 (0.67) | AKR1C3AKR1C2PTGS1PTGS2PSEN1 | |
| SCHEMBL4597658 | 0.79 | AKR1C3 (0.74) | AKR1C3AKR1C2PTGS1PTGS2PSEN1 | |
| SCHEMBL7804678 | 0.76 | AKR1C3 (0.54) | AKR1C3AKR1C2PTGS1PTGS2PSEN1 | |
| SCHEMBL1797371 | 0.74 | AKR1C3 (0.65) | AKR1C3AKR1C2PTGS1PTGS2PSEN1 | |
| SCHEMBL2844330 | 0.74 | AKR1C3 (0.62) | AKR1C3AKR1C2PTGS1PTGS2PSEN1 | |
| SCHEMBL2848166 | 0.73 | PSEN1 (0.50) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL6270587 | 0.71 | AKR1C3 (0.63) | AKR1C3AKR1C2PTGS2PSEN1PSEN2 | |
| SCHEMBL6689605 | 0.71 | AKR1C3 (0.78) | AKR1C3AKR1C2PTGS1PTGS2PSEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010138901-A1 | CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE | BIOGEN IDEC MA INC (US) | 2010-12-02 | — | — | WO | disclosed |