Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GPX4 | P36969 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23469288 | 0.98 | ALDH1A1 (0.38) | ALDH1A1TP53NPC1GPX4RAB9A | |
| SCHEMBL18757121 | 0.85 | HCAR3 (0.36) | ALDH1A1TP53KCNH2MAPTLMNA | |
| SCHEMBL5426301 | 0.79 | ALDH1A1 (0.59) | ALDH1A1TP53NPC1RAB9APAX8 | |
| SCHEMBL5424390 | 0.79 | ALDH1A1 (0.59) | ALDH1A1TP53NPC1RAB9APAX8 | |
| SCHEMBL5420188 | 0.79 | ALDH1A1 (0.59) | ALDH1A1TP53NPC1RAB9APAX8 | |
| SCHEMBL25466685 | 0.79 | ALDH1A1 (0.59) | ALDH1A1TP53NPC1RAB9APAX8 | |
| SCHEMBL25466688 | 0.79 | ALDH1A1 (0.59) | ALDH1A1TP53NPC1RAB9APAX8 | |
| SCHEMBL25224590 | 0.79 | ALDH1A1 (0.59) | ALDH1A1TP53NPC1RAB9APAX8 | |
| SCHEMBL5428321 | 0.79 | ALDH1A1 (0.59) | ALDH1A1TP53NPC1RAB9APAX8 | |
| SCHEMBL7174299 | 0.79 | ALDH1A1 (0.59) | ALDH1A1TP53NPC1RAB9APAX8 |
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-2000008032-A1 | CATALYST LIGANDS USEFUL FOR CROSS-COUPLING REACTIONS | SYMYX TECHNOLOGIES, INC. (US) | 2000-02-17 | — | — | WO | disclosed |