Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 2/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 11/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 11/20 | 0.39 |
| ▸ | CDC42BPB | Q9Y5S2 | 11/20 | 0.39 |
| ▸ | CDC42BPA | Q5VT25 | 6/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.36 |
| ▸ | WNT3A | P56704 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.35 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL16754368 | 1.00 | GRM5 (0.39) | GRM5ROCK2ROCK1CDC42BPBCDC42BPA | |
| SCHEMBL16754500 | 0.95 | IRAK4 (0.37) | GRM5IRAK4WNT3AABL1 | |
| SCHEMBL16776482 | 0.92 | ALDH1A1 (0.42) | GRM5WNT3AALDH1A1PIM3PIM2 | |
| SCHEMBL19699122 | 0.92 | PRMT5 (0.38) | GRM5HCRTR1WNT3AKDM4EALDH1A1 | |
| SCHEMBL16754551 | 0.90 | ROCK2 (0.38) | GRM5ROCK2ROCK1CDC42BPBHCRTR1 | |
| SCHEMBL16754281 | 0.89 | JAK2 (0.39) | GRM5 | |
| SCHEMBL17778302 | 0.88 | ROCK2 (0.37) | ROCK2ROCK1CDC42BPBCDC42BPAIRAK4 | |
| SCHEMBL16754669 | 0.88 | ROCK2 (0.37) | ROCK2ROCK1CDC42BPBCDC42BPAIRAK4 | |
| SCHEMBL16754401 | 0.88 | GRM5 (0.37) | GRM5ROCK2ROCK1CDC42BPBCDC42BPA | |
| SCHEMBL17778228 | 0.88 | GRM5 (0.37) | GRM5ROCK2ROCK1CDC42BPBCDC42BPA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016081692-A2 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2016-05-26 | — | — | WO | disclosed |
| WO-2016079711-A1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2016-05-26 | — | — | WO | disclosed |