Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HMGCR | P04035 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.33 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9472664 | 0.88 | TSHR (0.46) | ALDH1A1LMNATSHRHSD17B10ESR1 | |
| SCHEMBL17268196 | 0.84 | NAALAD2 (0.36) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL15222424 | 0.83 | TSHR (0.37) | ALDH1A1NAALAD2LMNATSHRFFAR3 | |
| SCHEMBL9315416 | 0.81 | ALDH1A1 (0.56) | ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL21896383 | 0.80 | HMGCR (0.37) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL22681405 | 0.79 | ALDH1A1 (0.36) | ALDH1A1NAALAD2LMNATSHRFFAR3 | |
| SCHEMBL6259993 | 0.78 | ALDH1A1 (0.53) | ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL375634 | 0.78 | LMNA (0.53) | ALDH1A1LMNATSHRFFAR3HDAC3 | |
| SCHEMBL20614594 | 0.78 | NAALAD2 (0.32) | ALDH1A1NAALAD2TSHRFFAR3HDAC3 | |
| SCHEMBL19540770 | 0.76 | FFAR3 (0.33) | ALDH1A1NAALAD2TSHRFFAR3HDAC3 |
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-3896056-A1 | AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2021-10-20 | — | — | EP | disclosed |