Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL8823569 | 0.92 | ALDH1A1 (0.40) | ALDH1A1HPGDKDM4EHTTRECQL | |
| SCHEMBL8046651 | 0.87 | ALDH1A1 (0.43) | ALDH1A1HPGDKDM4EHTTRECQL | |
| SCHEMBL7717792 | 0.82 | ALDH1A1 (0.46) | ALDH1A1HPGDKDM4EHTTRECQL | |
| SCHEMBL5809049 | 0.80 | ALDH1A1 (0.47) | ALDH1A1HPGDKDM4EHTTRECQL | |
| SCHEMBL1275935 | 0.79 | ALDH1A1 (0.46) | ALDH1A1HPGDKDM4EHTTRECQL | |
| SCHEMBL7716174 | 0.79 | GPR84 (0.35) | ALDH1A1CYP1A2MAPTTSHRMAPK1 | |
| SCHEMBL7268595 | 0.79 | ALDH1A1 (0.41) | ALDH1A1HPGDKDM4EHTTRECQL | |
| SCHEMBL8823524 | 0.78 | ALDH1A1 (0.36) | ALDH1A1HPGDKDM4EHTTRECQL | |
| SCHEMBL6551633 | 0.78 | ALOX5 (0.35) | ALDH1A1CYP1A2MAPTTSHRSMN1; SMN2 | |
| SCHEMBL4356883 | 0.78 | ALDH1A1 (0.49) | ALDH1A1HPGDKDM4EHTTRECQL |
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 |
|---|---|---|---|---|---|---|---|
| US-6407258-B1 | CYCLIZATION A AMINOAMIDE COMPOUND IN PRESENCE OF ANALKYLPHOSPHONIC ANHYDRIDE | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2002-06-18 | — | — | US | disclosed |