Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.68 |
| ▸ | CALM1 | P0DP23 | 6/20 | 0.61 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.57 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.57 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.57 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.57 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.57 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.57 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.53 |
| ▸ | NOS2 | P35228 | 1/20 | 0.53 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL24076843 | 0.89 | CALM1 (0.64) | PTGS2CALM1GABRA1GABRG2GABRB3 | |
| SCHEMBL10186605 | 0.81 | PTGS2 (0.70) | PTGS2CALM1GABRA1GABRG2GABRB3 | |
| SCHEMBL10654346 | 0.81 | PTGS2 (1.00) | PTGS2CALM1GABRA1GABRG2GABRB3 | |
| SCHEMBL17509775 | 0.79 | PTGS2 (0.97) | PTGS2CALM1GABRA1GABRG2GABRB3 | |
| SCHEMBL21925060 | 0.79 | PTGS2 (0.97) | PTGS2CALM1GABRA1GABRG2GABRB3 | |
| SCHEMBL17509787 | 0.79 | PTGS2 (0.97) | PTGS2CALM1GABRA1GABRG2GABRB3 | |
| SCHEMBL23462775 | 0.79 | PTGS2 (0.97) | PTGS2CALM1GABRA1GABRG2GABRB3 | |
| SCHEMBL10296730 | 0.79 | PTGS2 (0.50) | PTGS2CALM1GABRA1GABRG2GABRB3 | |
| SCHEMBL10652400 | 0.79 | PTGS2 (0.97) | PTGS2CALM1GABRA1GABRG2GABRB3 | |
| SCHEMBL20179619 | 0.79 | CALM1 (0.65) | PTGS2CALM1GABRA1GABRG2GABRB3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1833816-B1 | SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS | NOVARTIS AG (CH) | 2009-11-11 | — | — | EP | disclosed |