Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.41 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.40 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.40 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | FASN | P49327 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7391551 | 0.86 | PTGDR2 (0.49) | PTGDR2CA1CA2CYP19A1CSNK1A1 | |
| SCHEMBL29057760 | 0.83 | XDH (0.46) | CA1CA2TSHR | |
| SCHEMBL29683759 | 0.83 | MMP3 (0.52) | CA2CHEK1NPC1RAB9A | |
| SCHEMBL3291963 | 0.80 | PTGDR2 (0.47) | PTGDR2CA1CA2MEN1KMT2A | |
| SCHEMBL3291964 | 0.80 | PTGDR2 (0.47) | PTGDR2CA1CA2MEN1KMT2A | |
| SCHEMBL2744983 | 0.79 | XDH (0.47) | CA1CA2TSHRMEN1KMT2A | |
| SCHEMBL2476019 | 0.78 | ADRA2C (0.51) | PDCD1CD274CHEK1GABRA1GABRG2 | |
| SCHEMBL25382728 | 0.78 | FFAR1 (0.43) | PTGDR2NPC1RAB9A | |
| SCHEMBL31319142 | 0.78 | CA1 (0.37) | CA1CA2CSNK1A1CSNK1DGSK3B | |
| SCHEMBL26635333 | 0.78 | MAP4K4 (0.36) | CA1CA2CYP11B1CYP11B2GABRA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116199599-B | Method for preparing aryl nitrile compound | 江苏师范大学 | 2024-11-15 | — | — | CN | disclosed |
| CN-116199599-A | Method for preparing aryl nitrile compound | 江苏师范大学 | 2023-06-02 | — | — | CN | disclosed |
| WO-2007089669-A2 | PROCESSES FOR THE PREPARATION OF COMPOUNDS WHICH MODULATE CELL PROLIFERATION | WYETH (US) | 2007-08-09 | — | — | WO | disclosed |