Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.71 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.71 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.61 |
| ▸ | APP | P05067 | 1/20 | 0.61 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.61 |
| ▸ | MEN1 | O00255 | 3/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | MAPT | P10636 | 2/20 | 0.61 |
| ▸ | FABP2 | P12104 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.61 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.61 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.61 |
| ▸ | HTR2C | P28335 | 1/20 | 0.61 |
| ▸ | DRD3 | P35462 | 1/20 | 0.61 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.61 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL5319589 | 1.00 | AKR1C3 (0.71) | AKR1C3AKR1C2PTGS2CYP2C19APP | |
| SCHEMBL5322945 | 0.93 | PTGS2 (0.67) | AKR1C3AKR1C2PTGS2CYP2C19APP | |
| SCHEMBL5322950 | 0.93 | PTGS2 (0.67) | AKR1C3AKR1C2PTGS2CYP2C19APP | |
| SCHEMBL5322794 | 0.91 | CYP2C19 (0.71) | AKR1C3AKR1C2PTGS2CYP2C19APP | |
| SCHEMBL5322797 | 0.91 | CYP2C19 (0.71) | AKR1C3AKR1C2PTGS2CYP2C19APP | |
| SCHEMBL13704164 | 0.90 | PTGS2 (0.70) | AKR1C3AKR1C2PTGS2CYP2C19APP | |
| SCHEMBL5341435 | 0.89 | PTGS2 (0.62) | AKR1C3AKR1C2PTGS2CYP2C19PTGS1 | |
| SCHEMBL5341430 | 0.89 | PTGS2 (0.62) | AKR1C3AKR1C2PTGS2CYP2C19PTGS1 | |
| SCHEMBL5321117 | 0.88 | AKR1C3 (0.65) | AKR1C3AKR1C2PTGS2CYP2C19PTGS1 | |
| SCHEMBL5321123 | 0.88 | AKR1C3 (0.65) | AKR1C3AKR1C2PTGS2CYP2C19PTGS1 |
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-2007095383-A2 | PRODRUGS | MYRIAD GENETICS, INC. (US) | 2007-08-23 | — | — | WO | disclosed |