Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNAI3 | P08754 | 3/20 | 0.51 |
| ▸ | GNAO1 | P09471 | 3/20 | 0.51 |
| ▸ | GNAI1 | P63096 | 3/20 | 0.51 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 6/20 | 0.33 |
| ▸ | DRD2 | P14416 | 5/20 | 0.33 |
| ▸ | AXL | P30530 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Pyrimidine SCHEMBL7658961 | 0.86 | KCNH2 (0.53) | GNAI3GNAO1GNAI1SOS1ROCK2 | |
| SCHEMBL1197783 | 0.84 | GNAI3 (0.68) | GNAI3GNAO1GNAI1SOS1KCNH2 | |
| Pyrimidine SCHEMBL8028462 | 0.77 | KDM1A (0.40) | SOS1ROCK2ROCK1KCNH2KDM1A | |
| SCHEMBL4979028 | 0.72 | — | — | |
| SCHEMBL1070277 | 0.72 | GNAI3 (0.81) | GNAI3GNAO1GNAI1SOS1KCNH2 | |
| SCHEMBL5761715 | 0.72 | — | — | |
| SCHEMBL18711243 | 0.72 | — | — | |
| SCHEMBL3265058 | 0.71 | GNAI3 (0.92) | GNAI3GNAO1GNAI1SOS1KCNH2 | |
| SCHEMBL19604164 | 0.69 | GNAI3 (0.96) | GNAI3GNAO1GNAI1KCNH2EPHX1 | |
| SCHEMBL7319928 | 0.69 | GNAI3 (0.96) | GNAI3GNAO1GNAI1KCNH2EPHX1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000059498-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |