Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL8877389 | 0.94 | KEAP1 (0.41) | KEAP1MAPK1SIGMAR1GAAALDH1A1 | |
| SCHEMBL8875969 | 0.94 | KEAP1 (0.41) | KEAP1MAPK1SIGMAR1GAAALDH1A1 | |
| SCHEMBL8876593 | 0.93 | KEAP1 (0.39) | KEAP1MAPK1GAAALDH1A1SMN1; SMN2 | |
| SCHEMBL8875976 | 0.90 | ALDH1A1 (0.38) | KEAP1MAPK1SIGMAR1ALDH1A1SMN1; SMN2 | |
| SCHEMBL8883305 | 0.82 | ALDH1A1 (0.36) | MAPK1ALDH1A1SMN1; SMN2NPSR1MEN1 | |
| SCHEMBL8877376 | 0.82 | SIGMAR1 (0.36) | MAPK1SIGMAR1GAAALDH1A1SMN1; SMN2 | |
| SCHEMBL8881580 | 0.81 | SIGMAR1 (0.47) | SIGMAR1ALDH1A1LMNAMAPTTSHR | |
| SCHEMBL8877384 | 0.81 | SIGMAR1 (0.47) | MAPK1SIGMAR1ALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL8877346 | 0.81 | EPHX2 (0.42) | ALDH1A1SMN1; SMN2NPSR1MEN1KMT2A | |
| SCHEMBL8883193 | 0.81 | MAPK1 (0.31) | MAPK1ALDH1A1SMN1; SMN2NPSR1CNR2 |
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-2012068335-A2 | NOVEL CATALYSTS | DALHOUSIE UNIVERSITY (CA) | 2012-05-24 | — | — | WO | disclosed |