Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.40 |
| ▸ | RELA | Q04206 | 2/20 | 0.40 |
| ▸ | LDHA | P00338 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12622314 | 0.79 | RAB9A (0.52) | HSD17B1HSD17B2RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL1163789 | 0.79 | NPC1 (0.49) | RAB9ANPC1SMN1; SMN2NFKB1NFKB2 | |
| Bromide SCHEMBL30271836 | 0.77 | NPC1 (0.47) | RAB9ANPC1SMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL4028475 | 0.75 | KDM4E (0.59) | RAB9ANPC1SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL3146845 | 0.74 | NPC1 (0.54) | HSD17B1HSD17B2RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL27114768 | 0.73 | NPC1 (0.56) | HSD17B1HSD17B2RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL27681386 | 0.73 | ALDH1A1 (0.46) | RAB9ANPC1SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL25118611 | 0.72 | HPGDS (0.58) | HSD17B1HSD17B2RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL12523550 | 0.72 | HPGDS (0.58) | HSD17B1HSD17B2RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL903715 | 0.72 | HPGDS (0.58) | HSD17B1HSD17B2RAB9ANPC1SMN1; SMN2 |
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-1942465-A | Inhibitors of AKT activity | MERCK & CO INC (US) | 2007-04-04 | — | — | CN | disclosed |