Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 6/20 | 0.40 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.37 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21997577 | 0.90 | CA2 (0.42) | ALDH1A1S1PR5AGTR2MGLLPTGDR2 | |
| SCHEMBL21996912 | 0.88 | S1PR5 (0.40) | S1PR5AGTR2MGLLPTGDR2S1PR4 | |
| SCHEMBL3773661 | 0.88 | AGTR2 (0.50) | LMNASIGMAR1ALDH1A1S1PR5AGTR2 | |
| SCHEMBL2326600 | 0.86 | HRH3 (0.45) | S1PR5 | |
| SCHEMBL5386962 | 0.85 | DRD2 (0.41) | SIGMAR1ALDH1A1AGTR2 | |
| SCHEMBL211059 | 0.85 | DRD2 (0.43) | LMNAS1PR5AGTR2MGLLPTGDR2 | |
| SCHEMBL2766247 | 0.83 | MGLL (0.50) | LMNASIGMAR1ALDH1A1AGTR2MGLL | |
| SCHEMBL12156624 | 0.83 | MGLL (0.50) | LMNASIGMAR1ALDH1A1AGTR2MGLL | |
| SCHEMBL2768126 | 0.83 | MGLL (0.50) | LMNASIGMAR1ALDH1A1AGTR2MGLL | |
| SCHEMBL16371697 | 0.77 | GFER (0.47) | LMNAALDH1A1AGTR2GAA |
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-2023140629-A1 | 2,7-SUBSTITUTED PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND HAVING PROTEIN KINASE INHIBITORY ACTIVITY | 닥터아이앤비(주) | 2023-07-27 | — | — | WO | disclosed |