Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIM1 | P11309 | 1/20 | 0.71 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.71 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.66 |
| ▸ | NPC1 | O15118 | 10/20 | 0.66 |
| ▸ | RAB9A | P51151 | 10/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 10/20 | 0.66 |
| ▸ | HPGD | P15428 | 6/20 | 0.66 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.66 |
| ▸ | TP53 | P04637 | 3/20 | 0.66 |
| ▸ | GAA | P10253 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 6/20 | 0.56 |
| ▸ | USP2 | O75604 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 5/20 | 0.54 |
| ▸ | GFER | P55789 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 3/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL5023990 | 0.86 | NPC1 (0.68) | PIM1PIM3AURKBKDM4ENPC1 | |
| SCHEMBL11453318 | 0.85 | PIM1 (0.67) | PIM1PIM3AURKBKDM4ENPC1 | |
| SCHEMBL3374161 | 0.85 | PIM1 (0.71) | PIM1PIM3AURKBKDM4ENPC1 | |
| SCHEMBL3417301 | 0.84 | NPC1 (0.78) | PIM1PIM3AURKBKDM4ENPC1 | |
| SCHEMBL13163645 | 0.83 | PIM1 (0.51) | PIM1PIM3AURKBKDM4ENPC1 | |
| SCHEMBL13163636 | 0.83 | PIM1 (0.51) | PIM1PIM3AURKBKDM4ENPC1 | |
| SCHEMBL28027557 | 0.82 | KDM4E (0.75) | PIM1PIM3AURKBKDM4ENPC1 | |
| SCHEMBL13163655 | 0.80 | NPBWR1 (0.62) | PIM1PIM3AURKBKDM4ENPC1 | |
| SCHEMBL31063849 | 0.80 | ALDH1A1 (1.00) | PIM1PIM3AURKBKDM4ENPC1 | |
| SCHEMBL758845 | 0.80 | ALDH1A1 (1.00) | PIM1PIM3AURKBKDM4ENPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7125883-B1 | Integrin receptor ligands | ABBOTT GMBH & CO. KG (DE) | 2006-10-24 | — | — | US | disclosed |
| EP-1171435-A2 | PYRIMIDINE-2-ONE DERIVATIVES AS INTEGRIN RECEPTOR LIGANDS | BASF AKTIENGESELLSCHAFT (DE) | 2002-01-16 | — | — | EP | disclosed |
| WO-2000061551-A2 | PYRIMIDINE-2-ONE DERIVATIVES AS INTEGRIN RECEPTOR LIGANDS | BASF AKTIENGESELLSCHAFT (DE) | 2000-10-19 | — | — | WO | disclosed |