Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20048949 | 0.80 | KCNH2 (0.31) | KCNH2HRH4HRH3 | |
| SCHEMBL20675596 | 0.72 | CCR1 (0.43) | MAPTRAB9APDE2APDE10ANR4A2 | |
| SCHEMBL20666234 | 0.71 | NR4A2 (0.41) | ALDH1A1LMNAMAPTSMN1; SMN2NR4A2 | |
| SCHEMBL20675602 | 0.71 | CCR1 (0.46) | — | |
| SCHEMBL20049295 | 0.70 | NPC1 (0.41) | ALDH1A1NPC1LMNAMAPTRAB9A | |
| SCHEMBL14652456 | 0.70 | NPC1 (0.41) | ALDH1A1NPC1LMNAMAPTRAB9A | |
| SCHEMBL24009618 | 0.68 | ALDH1A1 (0.41) | ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL7451226 | 0.68 | NR4A2 (0.46) | ALDH1A1NR4A2 | |
| SCHEMBL20666241 | 0.68 | EGFR (0.30) | — | |
| SCHEMBL24019234 | 0.68 | OGA (0.30) | — |
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-2018067704-A1 | ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. (US) | 2018-04-12 | — | — | WO | disclosed |