Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 7/20 | 0.51 |
| ▸ | CA2 | P00918 | 7/20 | 0.51 |
| ▸ | CA9 | Q16790 | 7/20 | 0.51 |
| ▸ | CA12 | O43570 | 4/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.51 |
| ▸ | ELF3 | P78545 | 2/20 | 0.47 |
| ▸ | MED23 | Q9ULK4 | 2/20 | 0.47 |
| ▸ | HTR3A | P46098 | 4/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | FKBP1A | P62942 | 4/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19669980 | 1.00 | CA1 (0.51) | CA1CA2CA9CA12CA14 | |
| SCHEMBL19669056 | 0.97 | CA1 (0.52) | CA1CA2CA9CA12CA14 | |
| SCHEMBL16250025 | 0.88 | SLC5A2 (0.50) | HTR3AFKBP1A | |
| SCHEMBL19669062 | 0.88 | SLC5A2 (0.50) | HTR3AFKBP1A | |
| SCHEMBL19365750 | 0.86 | CA1 (0.53) | CA1CA2CA9CA12CA14 | |
| SCHEMBL19361190 | 0.85 | SLC5A2 (0.50) | HTR3A | |
| SCHEMBL16754369 | 0.78 | IDH2 (0.41) | CA2CA9OPRD1 | |
| SCHEMBL19365740 | 0.78 | SLC5A2 (0.50) | HTR3A | |
| SCHEMBL16249987 | 0.76 | KDM4E (0.41) | CA2CA9OPRD1 | |
| Trifluoroacetic Acid SCHEMBL16238731 | 0.75 | KDM4E (0.40) | CA2CA9OPRD1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9834558-B2 | Substituted bridged urea analogs as sirtuin modulators | GLAXOSMITHKLINE LLC (US) | 2017-12-05 | — | — | US | disclosed |
| US-9765075-B2 | Substituted bridged urea analogs as sirtuin modulators | GLAXOSMITHKLINE LLC (US) | 2017-09-19 | — | — | US | disclosed |