Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | BRD4 | O60885 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.38 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 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 | |
|---|---|---|---|---|
| SCHEMBL10986744 | 0.78 | PTGS2 (0.73) | PTGS2BRD4HTR7 | |
| SCHEMBL17225372 | 0.77 | BRD4 (0.41) | ALDH1A1KDM4ESMN1; SMN2BRD4KMT2A | |
| SCHEMBL15732165 | 0.76 | ALDH1A1 (0.47) | ALDH1A1KDM4ESMN1; SMN2BRD4KMT2A | |
| SCHEMBL11093531 | 0.75 | HTR7 (0.61) | PTGS2KMT2ABACE1GABRA1GABRG2 | |
| SCHEMBL28856325 | 0.73 | BACE1 (0.36) | ALDH1A1KDM4ESMN1; SMN2HSD17B10HPGD | |
| SCHEMBL20582837 | 0.72 | LMNA (0.43) | ALDH1A1KDM4ESMN1; SMN2BRD4KMT2A | |
| SCHEMBL14288450 | 0.71 | TSHR (0.45) | ALDH1A1KDM4EKMT2AHSD11B1HPGD | |
| SCHEMBL1780782 | 0.71 | ALDH1A1 (0.47) | ALDH1A1KDM4ESMN1; SMN2KMT2AHPGD | |
| SCHEMBL3260481 | 0.71 | LIPG (0.45) | ALDH1A1KDM4ESMN1; SMN2GABRA1GABRG2 | |
| SCHEMBL27633483 | 0.71 | ALDH1A1 (0.45) | ALDH1A1PTGS2KDM4ESMN1; SMN2BRD4 |
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-5260451-A | Enzyme inhibitors | MERCKLE GMBH (DE) | 1993-11-09 | — | — | US | disclosed |