Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 15/20 | 0.47 |
| ▸ | RAB9A | P51151 | 15/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 5/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 5/20 | 0.47 |
| ▸ | RELA | Q04206 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.45 |
| ▸ | POLB | P06746 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6719749 | 0.82 | NPC1 (0.61) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL6719752 | 0.82 | NPC1 (0.61) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL6722708 | 0.78 | POLB (0.45) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL8328499 | 0.77 | NPC1 (0.45) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL14511446 | 0.72 | KMT2A (0.69) | NPC1RAB9ANFKB1NFKB2RELA | |
| Hydrochloric Acid SCHEMBL1095737 | 0.71 | ROCK2 (0.69) | — | |
| Hydrochloric Acid SCHEMBL1095734 | 0.71 | ROCK2 (0.69) | — | |
| SCHEMBL1105175 | 0.71 | ROCK2 (0.46) | — | |
| SCHEMBL5205748 | 0.70 | NPC1 (0.63) | NPC1RAB9ANFKB1NFKB2RELA | |
| Hydrochloric Acid SCHEMBL8884002 | 0.69 | NPC1 (0.61) | NPC1RAB9ANFKB1NFKB2RELA |
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-2004022528-A2 | ARYLGLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS | NPS ALLELIX CORP. (CA) | 2004-03-18 | — | — | WO | disclosed |