Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 2/20 | 0.52 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.52 |
| ▸ | KIF11 | P52732 | 2/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.45 |
| ▸ | MGAM | O43451 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | SI | P14410 | 3/20 | 0.43 |
| ▸ | MGAM2 | Q2M2H8 | 3/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CTSA | P10619 | 1/20 | 0.41 |
| ▸ | CASR | P41180 | 2/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6498758 | 0.87 | PDCD1 (0.46) | PDCD1CD274GAAMEN1KMT2A | |
| SCHEMBL31321848 | 0.87 | PDCD1 (0.46) | PDCD1CD274GAAMEN1KMT2A | |
| SCHEMBL12650491 | 0.86 | KIF11 (0.55) | KIF11AKR1C3AKR1C2MGAMGAA | |
| SCHEMBL8021476 | 0.83 | S1PR1 (0.52) | PDCD1CD274KIF11 | |
| SCHEMBL7935451 | 0.82 | PPARD (0.43) | KIF11MCHR1KMT2ABACE1 | |
| SCHEMBL8028294 | 0.80 | PDCD1 (0.58) | PDCD1CD274MEN1KMT2AALDH1A1 | |
| SCHEMBL6497164 | 0.80 | PDCD1 (0.62) | PDCD1CD274GAAKMT2AALDH1A1 | |
| SCHEMBL25688156 | 0.80 | CYP1A2 (0.49) | GAAMEN1KMT2AALDH1A1 | |
| SCHEMBL25688144 | 0.80 | AKR1C3 (0.47) | PDCD1CD274AKR1C3AKR1C2MEN1 | |
| SCHEMBL1779625 | 0.79 | RXRA (0.54) | KIF11MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010015653-A1 | PYRIMIDINE DERIVATIVES AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE | SMITHKLINE BEECHAM CORPORATION (US) | 2010-02-11 | — | — | WO | disclosed |
| WO-2009071504-A1 | 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS | SMITHKLINE BEECHAM CORPORATION (US) | 2009-06-11 | — | — | WO | disclosed |