Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 14/20 | 0.44 |
| ▸ | NPC1 | O15118 | 13/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 12/20 | 0.44 |
| ▸ | HPGD | P15428 | 9/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 6/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.42 |
| ▸ | RELA | Q04206 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 4/20 | 0.40 |
| ▸ | MECP2 | P51608 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL19976610 | 0.77 | NPC1 (0.49) | RAB9ANPC1SMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL19976608 | 0.72 | NPC1 (0.63) | RAB9ANPC1SMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL11977551 | 0.70 | NPC1 (0.65) | RAB9ANPC1SMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL74999 | 0.68 | NPC1 (0.90) | RAB9ANPC1SMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL522555 | 0.68 | NPC1 (0.90) | RAB9ANPC1SMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL22858502 | 0.68 | NPC1 (0.90) | RAB9ANPC1SMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL46424 | 0.68 | NPC1 (0.90) | RAB9ANPC1SMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL11479566 | 0.67 | NPC1 (0.73) | RAB9ANPC1SMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL1105099 | 0.66 | NPC1 (0.85) | RAB9ANPC1SMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL4343181 | 0.66 | NPC1 (0.94) | RAB9ANPC1SMN1; SMN2HPGDALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9923152-B2 | Organic ionic functional materials | MERCK PATENT GMBH (DE) | 2018-03-20 | — | — | US | disclosed |