Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 3/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | RAF1 | P04049 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | MAP2K1 | Q02750 | 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 | |
|---|---|---|---|---|
| SCHEMBL8875969 | 0.98 | KEAP1 (0.41) | KEAP1ALDH1A1NPSR1SMN1; SMN2MAPK1 | |
| SCHEMBL8877389 | 0.98 | KEAP1 (0.41) | KEAP1ALDH1A1NPSR1SMN1; SMN2MAPK1 | |
| SCHEMBL8875976 | 0.97 | ALDH1A1 (0.38) | KEAP1ALDH1A1NPSR1SMN1; SMN2MAPK1 | |
| SCHEMBL8891248 | 0.93 | KEAP1 (0.37) | KEAP1ALDH1A1NPSR1SMN1; SMN2MAPK1 | |
| SCHEMBL8883305 | 0.88 | ALDH1A1 (0.36) | ALDH1A1NPSR1SMN1; SMN2MAPK1GRM5 | |
| SCHEMBL8877376 | 0.88 | SIGMAR1 (0.36) | ALDH1A1NPSR1SMN1; SMN2MAPK1GRM5 | |
| SCHEMBL8881580 | 0.87 | SIGMAR1 (0.47) | ALDH1A1LMNAMAPT | |
| SCHEMBL8877384 | 0.87 | SIGMAR1 (0.47) | ALDH1A1NPSR1SMN1; SMN2MAPK1GRM5 | |
| SCHEMBL8877346 | 0.87 | EPHX2 (0.42) | ALDH1A1NPSR1SMN1; SMN2LMNAHTT | |
| SCHEMBL8877351 | 0.87 | EPHX2 (0.32) | ALDH1A1NPSR1SMN1; SMN2CNR2HSD11B1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130253185-A1 | NOVEL CATALYSTS | DALHOUSIE UNIVERSITY (CA) | 2013-09-26 | — | — | US | disclosed |
| US-20130253185-A1 | NOVEL CATALYSTS | DALHOUSIE UNIVERSITY (CA) | 2013-09-26 | — | — | US | disclosed |
| WO-2012068335-A2 | NOVEL CATALYSTS | DALHOUSIE UNIVERSITY (CA) | 2012-05-24 | — | — | WO | disclosed |