Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.68 |
| ▸ | NPC1 | O15118 | 2/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.68 |
| ▸ | LMNA | P02545 | 1/20 | 0.68 |
| ▸ | RAB9A | P51151 | 2/20 | 0.62 |
| ▸ | SCD | O00767 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.53 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.52 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Nitrobenzene SCHEMBL27694792 | 0.91 | NPC1 (0.82) | MAPTNPC1KDM4ELMNARAB9A | |
| SCHEMBL3178619 | 0.87 | NPC1 (0.72) | NPC1LMNARAB9ASCDKCNK3 | |
| SCHEMBL22348661 | 0.82 | NPC1 (0.72) | MAPTNPC1KDM4ELMNARAB9A | |
| SCHEMBL3191246 | 0.81 | NPC1 (1.00) | MAPTNPC1KDM4ELMNARAB9A | |
| SCHEMBL995829 | 0.78 | NPC1 (1.00) | MAPTNPC1KDM4ELMNARAB9A | |
| Hydrochloric Acid SCHEMBL27594584 | 0.77 | NPC1 (0.97) | MAPTNPC1KDM4ELMNARAB9A | |
| SCHEMBL25277062 | 0.76 | ALDH1A1 (0.79) | MAPTNPC1LMNARAB9APOLB | |
| Nitrobenzene SCHEMBL27656746 | 0.76 | LMNA (0.60) | MAPTNPC1KDM4ELMNARAB9A | |
| Niacin SCHEMBL28193799 | 0.76 | ALDH1A1 (0.68) | MAPTLMNAALDH1A1CYP11B1CYP11B2 | |
| SCHEMBL2681668 | 0.75 | NPC1 (0.68) | MAPTNPC1LMNARAB9APOLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-101090899-A | 2,5 and 2,6 disubstituted benzazole analogs useful as protein kinase inhibitors | 4SC AG (DE) | 2007-12-19 | — | — | CN | disclosed |