Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | NNMT | P40261 | 1/20 | 0.41 |
| ▸ | IKBKB | O14920 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | BTK | Q06187 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL17647519 | 0.86 | SMN1; SMN2 (0.55) | SMN1; SMN2IKBKBALDH1A1MAPTRAB9A | |
| SCHEMBL29915627 | 0.76 | EGFR (0.52) | SMN1; SMN2ALDH1A1KDR | |
| SCHEMBL17647887 | 0.76 | EGFR (0.52) | SMN1; SMN2ALDH1A1KDR | |
| SCHEMBL17647991 | 0.74 | PTGS2 (0.55) | ALDH1A1KDRHPGDKDM4E | |
| SCHEMBL29915876 | 0.74 | EGFR (0.53) | KDR | |
| SCHEMBL17649302 | 0.74 | EGFR (0.53) | KDR | |
| SCHEMBL17268296 | 0.73 | NNMT (0.41) | PARP1NNMTALDH1A1KDM4EGAA | |
| SCHEMBL28943763 | 0.73 | NNMT (0.41) | SMN1; SMN2PARP1NNMTALDH1A1MAPT | |
| SCHEMBL17646635 | 0.72 | EGFR (0.46) | KDRKDM4E | |
| SCHEMBL22383334 | 0.72 | PTGS2 (0.47) | CA12CA9CA1CA2ALDH1A1 |
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-3798214-B1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMA (US) | 2022-09-14 | — | — | EP | claimed |