Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.37 |
| ▸ | TBXAS1 | P24557 | 5/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.31 |
| ▸ | GABRR2 | P28476 | 2/20 | 0.31 |
| ▸ | BLM | P54132 | 2/20 | 0.31 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | APEX1 | P27695 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | NAMPT | P43490 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23927695 | 1.00 | CA2 (0.41) | CA2TMEM97SIGMAR1TBXA2RTBXAS1 | |
| SCHEMBL5973123 | 1.00 | CA2 (0.41) | CA2TMEM97SIGMAR1TBXA2RTBXAS1 | |
| SCHEMBL7162136 | 0.84 | CA2 (0.39) | CA2TMEM97SIGMAR1TBXA2RTBXAS1 | |
| SCHEMBL7160443 | 0.84 | CA2 (0.39) | CA2TMEM97SIGMAR1TBXA2RTBXAS1 | |
| SCHEMBL24326319 | 0.83 | CA2 (0.41) | CA2TMEM97SIGMAR1TBXA2RTBXAS1 | |
| SCHEMBL17888069 | 0.80 | CA2 (0.39) | CA2TMEM97SIGMAR1NPSR1ALDH1A1 | |
| SCHEMBL26324104 | 0.80 | CA2 (0.39) | CA2TMEM97SIGMAR1NPSR1ALDH1A1 | |
| SCHEMBL16328336 | 0.80 | TBXAS1 (0.55) | CA2TMEM97SIGMAR1TBXA2RTBXAS1 | |
| SCHEMBL14169666 | 0.79 | CA2 (0.41) | CA2TMEM97SIGMAR1TBXA2RTBXAS1 | |
| SCHEMBL591538 | 0.77 | CA2 (0.40) | CA2TMEM97SIGMAR1TBXA2RTBXAS1 |
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-3901156-A1 | NITROOXYDERIVATIVE OF ROCK KINASE INHIBITOR | Vivavision (Shanghai) Ltd (CN) | 2021-10-27 | — | — | EP | disclosed |