Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.37 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | ATM | Q13315 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | PLK1 | P53350 | 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 | |
|---|---|---|---|---|
| SCHEMBL16431930 | 0.77 | PDGFRB (0.59) | ALDH1A1NPC1POLBRAB9APDGFRB | |
| SCHEMBL29684281 | 0.77 | PDGFRB (0.40) | ALDH1A1NPC1POLBRAB9APDGFRB | |
| SCHEMBL22802070 | 0.76 | LPL (0.33) | LPLLIPG | |
| SCHEMBL21645897 | 0.75 | PDGFRB (0.59) | ALDH1A1NPC1POLBRAB9APDGFRB | |
| SCHEMBL29502750 | 0.75 | ALDH1A1 (0.49) | ALDH1A1NPC1POLBRAB9APDGFRB | |
| SCHEMBL418496 | 0.75 | ALDH1A1 (0.49) | ALDH1A1NPC1POLBRAB9APDGFRB | |
| SCHEMBL31513479 | 0.75 | ALDH1A1 (0.49) | ALDH1A1NPC1POLBRAB9APDGFRB | |
| SCHEMBL22324231 | 0.73 | PDGFRB (0.47) | ALDH1A1NPC1POLBRAB9APDGFRB | |
| SCHEMBL31753979 | 0.73 | PDGFRB (0.46) | ALDH1A1GAAPOLBPDGFRBPDGFRA | |
| SCHEMBL10041736 | 0.72 | SMN1; SMN2 (0.40) | ALDH1A1NPC1RAB9AHTTKDM4E |
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-3044284-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2019-11-13 | — | — | EP | disclosed |