Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.57 |
| ▸ | AKR1C3 | P42330 | 5/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.50 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.49 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.49 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.49 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.49 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.49 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.49 |
| ▸ | APP | P05067 | 2/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | FABP2 | P12104 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL10981141 | 0.87 | PTGS2 (0.66) | PTGS2AKR1C3AKR1C2PSEN1PSEN2 | |
| SCHEMBL1768331 | 0.80 | ELANE (0.44) | PTGS2AKR1C3AKR1C2PSEN1PSEN2 | |
| SCHEMBL2576984 | 0.79 | AKR1C3 (0.64) | PTGS2AKR1C3AKR1C2PSEN1PSEN2 | |
| Acetic Acid SCHEMBL27630446 | 0.78 | CYP2A6 (0.52) | MEN1KMT2ATSHRLMNAMAPT | |
| Acetic Acid SCHEMBL27614844 | 0.76 | CYP2A6 (0.54) | MEN1KMT2ATSHRLMNAMAPT | |
| SCHEMBL3671835 | 0.76 | PTGS2 (0.68) | PTGS2AKR1C3AKR1C2PSEN1PSEN2 | |
| SCHEMBL917093 | 0.75 | PTGS2 (0.87) | PTGS2AKR1C3AKR1C2PTGS1TSHR | |
| SCHEMBL8455676 | 0.75 | AKR1C3 (0.64) | PTGS2AKR1C3AKR1C2PSEN1PSEN2 | |
| SCHEMBL7453666 | 0.75 | AKR1C3 (0.57) | PTGS2AKR1C3AKR1C2PSEN1PSEN2 | |
| SCHEMBL2890186 | 0.75 | TSHR (0.50) | MEN1KMT2ATSHRLMNAMAPT |
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-2011061271-A1 | SUBSTITUTED CARBAMOYLMETHYLAMINO ACETIC ACID DERIVATIVES AS NOVEL NEP INHIBITORS | NOVARTIS AG (CH) | 2011-05-26 | — | — | WO | disclosed |