Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | GPX4 | P36969 | 1/20 | 0.43 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.42 |
| ▸ | PTPRO | Q16827 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 5/20 | 0.40 |
| ▸ | FAAH | O00519 | 2/20 | 0.40 |
| ▸ | CNR1 | P21554 | 2/20 | 0.40 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6727452 | 0.81 | CYP1A2 (0.50) | ALDH1A1 | |
| SCHEMBL6340366 | 0.81 | ALDH1A1 (0.46) | NPC1RAB9APAX8ALDH1A1TP53 | |
| SCHEMBL8390888 | 0.79 | NPC1 (0.51) | NPC1RAB9APAX8ALDH1A1TP53 | |
| SCHEMBL31568317 | 0.78 | NPC1 (0.42) | NPC1RAB9APAX8ALDH1A1TP53 | |
| SCHEMBL12275098 | 0.77 | ESR1 (0.41) | KDM4EESR1ESR2 | |
| SCHEMBL13791513 | 0.76 | NPC1 (0.55) | NPC1RAB9APAX8ALDH1A1TP53 | |
| SCHEMBL3930753 | 0.75 | NPC1 (0.50) | NPC1RAB9APAX8ALDH1A1TP53 | |
| SCHEMBL9350017 | 0.74 | NPC1 (0.51) | NPC1RAB9APAX8ALDH1A1TP53 | |
| SCHEMBL9346640 | 0.74 | NPC1 (0.51) | NPC1RAB9APAX8ALDH1A1TP53 | |
| SCHEMBL9345359 | 0.74 | NPC1 (0.51) | NPC1RAB9APAX8ALDH1A1TP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1517680-A1 | BENZOIC ACID DERIVATIVES AS MODULATORS OF PPAR ALPHA AND GAMMA | Astrazeneca AB (SE) | 2005-03-30 | — | — | EP | disclosed |
| WO-2004000295-A1 | BENZOIC ACID DERIVATIVES AS MODULATORS OF PPAR ALPHA AND GAMMA | ASTRAZENECA AB (SE) | 2003-12-31 | — | — | WO | disclosed |