Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 9/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MC4R | P32245 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1250010 | 0.66 | ALDH1A1 (0.68) | ALDH1A1HPGDKDM4EMAPTHTT | |
| SCHEMBL1250011 | 0.66 | ALDH1A1 (0.68) | ALDH1A1HPGDKDM4EMAPTHTT | |
| SCHEMBL14499498 | 0.61 | PTGS2 (0.71) | ALDH1A1HPGDKDM4EMAPTPTGS2 | |
| SCHEMBL7503391 | 0.60 | PTGS2 (0.71) | ALDH1A1KDM4EPTGS2PTGS1GSK3B | |
| SCHEMBL1248870 | 0.58 | KDM4E (0.48) | ALDH1A1HPGDKDM4EMAPTNPC1 | |
| SCHEMBL12891828 | 0.58 | KDM4E (0.48) | ALDH1A1HPGDKDM4EMAPTNPC1 | |
| SCHEMBL1248867 | 0.58 | KDM4E (0.48) | ALDH1A1HPGDKDM4EMAPTNPC1 | |
| SCHEMBL280156 | 0.58 | PKM (0.70) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL11986371 | 0.58 | PKM (0.70) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL1250508 | 0.58 | PIM1 (0.53) | ALDH1A1HPGDMAPTCA1CA2 |
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-2006082245-A1 | PHARMACEUTICAL PREPARATIONS COMPRISING INSULIN, ZINC IONS AND A ZINC-BINDING LIGAND | NOVO NORDISK A/S (DK) | 2006-08-10 | — | — | WO | disclosed |