Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | JAK2 | O60674 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 3/20 | 0.49 |
| ▸ | NAAA | Q02083 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9050796 | 0.83 | NPC1 (0.52) | NPC1JAK2RAB9APAX8GAA | |
| SCHEMBL4301694 | 0.81 | GAA (0.56) | NPC1JAK2RAB9APAX8GAA | |
| SCHEMBL14020066 | 0.80 | TP53 (0.59) | MAPTLMNATP53NAAAALDH1A1 | |
| SCHEMBL15291404 | 0.80 | ADRA2C (0.67) | NPC1JAK2RAB9APAX8GAA | |
| SCHEMBL14141689 | 0.79 | MAPT (0.52) | NPC1JAK2RAB9APAX8GAA | |
| SCHEMBL10960951 | 0.79 | NPC1 (0.69) | NPC1JAK2RAB9APAX8GAA | |
| SCHEMBL894066 | 0.79 | NPC1 (0.69) | NPC1JAK2RAB9APAX8MAPT | |
| SCHEMBL11880242 | 0.79 | NAAA (0.50) | NPC1JAK2RAB9APAX8GAA | |
| SCHEMBL10961189 | 0.78 | NPC1 (0.71) | NPC1JAK2RAB9APAX8MAPT | |
| SCHEMBL10960608 | 0.78 | NPC1 (0.71) | NPC1JAK2RAB9APAX8MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0722439-A1 | HIV PROTEASE INHIBITORS | AGOURON PHARMACEUTICALS, INC. (US) | 1996-07-24 | — | — | EP | disclosed |