Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | IDH2 | P48735 | 5/20 | 0.37 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.36 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19670349 | 1.00 | CA2 (0.38) | CA2CA9IDH2SPHK2SPHK1 | |
| SCHEMBL17618887 | 1.00 | CA2 (0.38) | CA2CA9IDH2SPHK2SPHK1 | |
| SCHEMBL17618886 | 0.90 | CA2 (0.37) | CA2CA9IDH2KDM4EUSP2 | |
| SCHEMBL19365570 | 0.90 | CA2 (0.37) | CA2CA9IDH2KDM4EUSP2 | |
| SCHEMBL16250010 | 0.88 | CA2 (0.42) | CA2CA9IDH2ITGB3TRPV1 | |
| Hydrochloric Acid SCHEMBL16238734 | 0.87 | CA2 (0.41) | CA2CA9IDH2ITGB3TRPV1 | |
| SCHEMBL19706278 | 0.86 | CA2 (0.38) | CA2CA9IDH2ITGB3ITGA2B | |
| SCHEMBL19699111 | 0.86 | CA2 (0.38) | CA2CA9IDH2ITGB3ITGA2B | |
| SCHEMBL19706276 | 0.86 | CA2 (0.38) | CA2CA9IDH2ITGB3ITGA2B | |
| SCHEMBL17618885 | 0.86 | KDM4E (0.39) | CA2CA9IDH2SPHK2SPHK1 |
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 |