Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 2/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.41 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL166804 | 0.92 | NPC1 (0.56) | NPC1RAB9APOLBHSD17B10KDM4E | |
| SCHEMBL167074 | 0.89 | NPC1 (0.56) | NPC1RAB9APOLBHSD17B10GRM5 | |
| SCHEMBL256556 | 0.82 | RIPK1 (0.53) | — | |
| SCHEMBL166512 | 0.81 | POLB (0.57) | NPC1RAB9APOLBHSD17B10GRM5 | |
| SCHEMBL164861 | 0.80 | POLB (0.53) | NPC1RAB9APOLBHSD17B10MEN1 | |
| SCHEMBL166110 | 0.76 | POLB (0.47) | NPC1RAB9APOLBHSD17B10KDM4E | |
| SCHEMBL715644 | 0.75 | POLB (0.50) | NPC1RAB9APOLBHSD17B10KDM4E | |
| SCHEMBL167476 | 0.74 | NPC1 (0.45) | NPC1RAB9APOLBHSD17B10KDM4E | |
| SCHEMBL716612 | 0.73 | NPC1 (0.46) | NPC1RAB9APOLBHSD17B10KDM4E | |
| SCHEMBL166963 | 0.73 | RIPK1 (0.54) | — |
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-2012028563-A1 | BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-03-08 | — | — | WO | disclosed |