Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 10/20 | 0.66 |
| ▸ | RAB9A | P51151 | 10/20 | 0.66 |
| ▸ | MAPT | P10636 | 8/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.66 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.58 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.58 |
| ▸ | RELA | Q04206 | 2/20 | 0.58 |
| ▸ | PPARG | P37231 | 1/20 | 0.58 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.58 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.58 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.50 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.50 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.50 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL12788381 | 0.80 | NPC1 (1.00) | NPC1RAB9AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL6319469 | 0.78 | NPC1 (0.63) | NPC1RAB9AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL6481114 | 0.74 | NPC1 (0.88) | NPC1RAB9AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL1207792 | 0.73 | PTPN1 (0.51) | NPC1RAB9AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL12745815 | 0.72 | NPC1 (0.60) | NPC1RAB9AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL4283915 | 0.71 | HPGD (0.55) | NPC1RAB9AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL1207018 | 0.71 | ALDH1A1 (0.47) | NPC1RAB9AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL27768717 | 0.71 | NPC1 (0.83) | NPC1RAB9AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL6482978 | 0.71 | NPC1 (0.80) | NPC1RAB9AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL892320 | 0.70 | ALDH1A1 (0.44) | NPC1RAB9AMAPTALDH1A1SMN1; 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 |
|---|---|---|---|---|---|---|---|
| WO-2012028100-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2012-03-08 | — | — | WO | disclosed |