Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 1/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | GRN | P28799 | 1/20 | 0.36 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19622283 | 0.84 | MAPT (0.45) | MAPTHRH3LMNAOPRM1OPRD1 | |
| SCHEMBL19622328 | 0.83 | PDE4B (0.44) | ALDH1A1MAPTPDE4BLMNAOPRM1 | |
| SCHEMBL19622200 | 0.74 | MAPT (0.40) | ALDH1A1MAPTLMNACA1CA2 | |
| SCHEMBL19622337 | 0.73 | LMNA (0.50) | ALDH1A1MAPTPDE4BGABRA5LMNA | |
| SCHEMBL19622338 | 0.72 | LMNA (0.49) | ALDH1A1MAPTPDE4BLMNAOPRM1 | |
| SCHEMBL3590924 | 0.69 | CA12 (0.51) | CYP4F2CYP4A11ALDH1A1MAPTGABRA5 | |
| SCHEMBL2530011 | 0.69 | PDE4B (0.75) | PDE4B | |
| SCHEMBL19622230 | 0.67 | HDAC3 (0.36) | ALDH1A1MAPT | |
| SCHEMBL19622290 | 0.66 | PDE4B (0.41) | MAPTHRH3PDE4BOPRM1OPRD1 | |
| SCHEMBL23474086 | 0.65 | LMNA (0.52) | ALDH1A1MAPTPDE4BLMNAACACB |
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-3246034-A1 | BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS | Anacor Pharmaceuticals, Inc. (US) | 2017-11-22 | — | — | EP | disclosed |