Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.39 |
| ▸ | RAB9A | P51151 | 6/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 4/20 | 0.37 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.37 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | BCR | P11274 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL10193947 | 0.90 | BACE1 (0.41) | BACE1BACE2P4HTM | |
| SCHEMBL10193952 | 0.88 | ALDH1A1 (0.52) | NPC1RAB9AMAPTGAAALDH1A1 | |
| SCHEMBL10193577 | 0.87 | RAB9A (0.38) | NPC1RAB9AMAPTGAAALDH1A1 | |
| SCHEMBL10193156 | 0.86 | BACE1 (0.45) | BACE1BACE2 | |
| SCHEMBL10193245 | 0.86 | BACE1 (0.49) | BACE1BACE2 | |
| SCHEMBL10193707 | 0.84 | PDE4D (0.42) | NPC1RAB9AMAPTGAAALDH1A1 | |
| SCHEMBL10194912 | 0.76 | PRSS1 (0.46) | RAB9AGRM4ALDH1A1LMNABACE1 | |
| SCHEMBL10193158 | 0.74 | BACE1 (0.44) | BACE1BACE2 | |
| SCHEMBL10194914 | 0.73 | ALDH1A1 (0.43) | NPC1RAB9AMAPTGRM4ALDH1A1 | |
| SCHEMBL10193249 | 0.73 | BACE1 (0.43) | BACE1BACE2PDE4D |
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 |
|---|---|---|---|---|---|---|---|
| EP-2415756-A1 | ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | Shionogi&Co., Ltd. (JP) | 2012-02-08 | — | — | EP | disclosed |