Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.48 |
| ▸ | PARP1 | P09874 | 5/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 4/20 | 0.42 |
| ▸ | CASP7 | P55210 | 2/20 | 0.42 |
| ▸ | CASP2 | P42575 | 1/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.42 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | BLM | P54132 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31229225 | 1.00 | GSK3B (0.48) | GSK3BPARP1KDM4EALDH1A1GAA | |
| SCHEMBL579203 | 0.82 | GSK3B (0.46) | GSK3BPARP1KDM4EALDH1A1GAA | |
| SCHEMBL626418 | 0.82 | GSK3B (0.46) | GSK3BPARP1KDM4EALDH1A1GAA | |
| Iodide SCHEMBL2495412 | 0.81 | GSK3B (0.45) | GSK3BPARP1KDM4EALDH1A1GAA | |
| SCHEMBL8577337 | 0.79 | KDM4E (0.45) | GSK3BPARP1KDM4EALDH1A1GAA | |
| SCHEMBL16754925 | 0.78 | GSK3B (0.62) | GSK3BPARP1KDM4EALDH1A1GAA | |
| SCHEMBL28735098 | 0.77 | GSK3B (0.41) | GSK3BPARP1KDM4EALDH1A1GAA | |
| SCHEMBL7693227 | 0.75 | KDM4E (0.42) | GSK3BPARP1KDM4EALDH1A1GAA | |
| SCHEMBL7552794 | 0.75 | KDM4E (0.42) | GSK3BPARP1KDM4EALDH1A1GAA | |
| Acrylic Acid SCHEMBL11605192 | 0.74 | KDM4E (0.44) | GSK3BPARP1KDM4EALDH1A1GAA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8562922-B2 | Picolylamine resins | LANXESS DEUTSCHLAND GMBH (US) | 2013-10-22 | — | — | US | disclosed |
| US-8563622-B2 | Picolylamine resins | LANXESS DEUTSCHLAND GMBH (DE) | 2013-10-22 | — | — | US | disclosed |
| WO-2010131054-A9 | REDOX DRUG DERIVATIVES | BRADFORD PHARMA LIMITED (GB) | 2011-05-12 | — | — | WO | disclosed |
| US-20110091365-A1 | PICOLYLAMINE RESINS | LANXESS DEUTSCHLAND GMBH (DE) | 2011-04-21 | — | — | US | disclosed |
| US-20110086935-A1 | PICOLYLAMINE RESINS | LANXESS DEUTSCHLAND GMBH (DE) | 2011-04-14 | — | — | US | disclosed |
| US-4952608-A | CONTROLLING PH TO IMPROVE STABILITY | BAYER AKTIENGESELLSCHAFT (DE) | 1990-08-28 | — | — | US | disclosed |