Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.50 |
| ▸ | TNFRSF1A | P19438 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | RAD52 | P43351 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6387901 | 0.91 | NPC1 (0.54) | NPC1MAPTKMT2AABCG2TNFRSF1A | |
| SCHEMBL21437264 | 0.87 | NPC1 (0.49) | NPC1MAPTKMT2AABCG2TNFRSF1A | |
| SCHEMBL9519174 | 0.85 | MAOB (0.47) | NPC1MAPTKMT2AABCG2MEN1 | |
| SCHEMBL9519165 | 0.85 | MAOB (0.47) | NPC1MAPTKMT2AABCG2MEN1 | |
| SCHEMBL9519176 | 0.85 | MAOB (0.47) | NPC1MAPTKMT2AABCG2MEN1 | |
| SCHEMBL8564034 | 0.82 | ALDH1A1 (0.57) | MAPTALDH1A1HPGDPDE4APDE4B | |
| SCHEMBL9522139 | 0.76 | CES2 (0.59) | NPC1MAPTKMT2ATNFRSF1AMEN1 | |
| SCHEMBL5902231 | 0.76 | NPC1 (1.00) | NPC1MAPTKMT2AABCG2TNFRSF1A | |
| SCHEMBL9522136 | 0.76 | CES2 (0.59) | NPC1MAPTKMT2ATNFRSF1AMEN1 | |
| SCHEMBL29414999 | 0.76 | NPC1 (1.00) | NPC1MAPTKMT2AABCG2TNFRSF1A |
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-2019195430-A1 | STREPTOCOCCUS MUTANS GLUCOSYL TRANSFERASE INHIBITORS FOR DENTAL CARIES THERAPY | UAB RESEARCH FOUNDATION (US) | 2019-10-10 | — | — | WO | disclosed |