Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | THRB | P10828 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | RAD52 | P43351 | 1/20 | 0.51 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | DPP4 | P27487 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL438293 | 0.87 | NPC1 (0.55) | NPC1RAB9AKMT2ATHRBMAPT | |
| SCHEMBL437001 | 0.87 | NPC1 (0.55) | NPC1RAB9AKMT2ATHRBGAA | |
| SCHEMBL441793 | 0.87 | TP53 (0.56) | NPC1RAB9AKMT2ATHRBMAPT | |
| SCHEMBL438821 | 0.87 | KMT2A (0.55) | NPC1RAB9AKMT2ATHRBMAPT | |
| SCHEMBL11240555 | 0.85 | THRB (0.57) | NPC1RAB9AKMT2ATHRBMAPT | |
| SCHEMBL17524914 | 0.84 | THRB (0.56) | NPC1RAB9AKMT2ATHRBMAPT | |
| SCHEMBL11242678 | 0.84 | KMT2A (0.57) | NPC1RAB9AKMT2ATHRBMAPT | |
| SCHEMBL437086 | 0.81 | KDM4E (0.53) | KMT2ATHRBMAPTGAARAD52 | |
| SCHEMBL438878 | 0.81 | KMT2A (0.71) | NPC1RAB9AKMT2AMAPTGAA | |
| SCHEMBL438415 | 0.79 | KMT2A (0.55) | NPC1RAB9AKMT2AMAPTGAA |
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-20120065166-A1 | Bone Modulators And Methods Therewith | ESPINA VIRGINIA (US) | 2012-03-15 | — | — | US | disclosed |