Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CTSS | P25774 | 3/20 | 0.33 |
| ▸ | JAK3 | P52333 | 2/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | TYK2 | P29597 | 1/20 | 0.33 |
| ▸ | FPR3 | P25089 | 2/20 | 0.32 |
| ▸ | FPR2 | P25090 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.32 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17769963 | 1.00 | NPC1 (0.36) | NPC1RAB9AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL19714348 | 0.91 | CTSS (0.37) | CTSSJAK3JAK2JAK1TYK2 | |
| SCHEMBL17770191 | 0.91 | CTSS (0.37) | CTSSJAK3JAK2JAK1TYK2 | |
| SCHEMBL19714307 | 0.89 | SRPK1 (0.33) | CTSSJAK3JAK2JAK1TYK2 | |
| SCHEMBL19736482 | 0.89 | GCK (0.36) | CTSSJAK3JAK2JAK1TYK2 | |
| SCHEMBL19714345 | 0.89 | GCK (0.36) | CTSSJAK3JAK2JAK1TYK2 | |
| SCHEMBL17770549 | 0.89 | JAK3 (0.36) | CTSSJAK3TYK2CXCR3 | |
| SCHEMBL17769917 | 0.88 | ACACB (0.36) | CTSSJAK3JAK2JAK1TYK2 | |
| SCHEMBL19714139 | 0.88 | USP30 (0.40) | CTSS | |
| SCHEMBL17770458 | 0.88 | TYK2 (0.36) | JAK3JAK2JAK1TYK2CXCR3 |
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-3221317-B1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE IP NO 2 LTD (GB) | 2020-07-22 | — | — | EP | disclosed |