Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 10/20 | 0.59 |
| ▸ | RAB9A | P51151 | 9/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.59 |
| ▸ | HPGD | P15428 | 5/20 | 0.59 |
| ▸ | PKM | P14618 | 3/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.55 |
| ▸ | GAA | P10253 | 3/20 | 0.55 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.55 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | AMY1A | P0DUB6 | 2/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | GBA1 | P04062 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL23854442 | 0.87 | NPC1 (0.63) | NPC1RAB9AALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL4117692 | 0.81 | NPC1 (0.63) | NPC1RAB9AALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL31679092 | 0.81 | NPC1 (0.63) | NPC1RAB9AALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL227743 | 0.79 | NPC1 (0.78) | NPC1RAB9AALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL31429592 | 0.78 | F7 (0.63) | NPC1RAB9AALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL31027904 | 0.75 | NPC1 (1.00) | NPC1RAB9AALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL3170855 | 0.75 | NPC1 (1.00) | NPC1RAB9AALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL29411978 | 0.75 | NPC1 (1.00) | NPC1RAB9AALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL2243125 | 0.75 | NPC1 (1.00) | NPC1RAB9AALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL7396331 | 0.75 | KDM4E (0.53) | NPC1RAB9AALDH1A1SMN1; SMN2NPSR1 |
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-2017207596-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2017-12-07 | — | — | WO | disclosed |