Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.86 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.86 |
| ▸ | CASP3 | P42574 | 1/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.68 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.68 |
| ▸ | PKM | P14618 | 1/20 | 0.68 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.65 |
| ▸ | GSK3A | P49840 | 1/20 | 0.65 |
| ▸ | GSK3B | P49841 | 1/20 | 0.65 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | ACHE | P22303 | 2/20 | 0.59 |
| ▸ | MAOB | P27338 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL30371663 | 1.00 | TDP1 (0.86) | TDP1L3MBTL1CASP3ALDH1A1ALDH2 | |
| SCHEMBL916601 | 0.94 | TDP1 (0.96) | TDP1L3MBTL1CASP3ALDH1A1ALDH2 | |
| SCHEMBL13442856 | 0.93 | CASP3 (0.81) | TDP1L3MBTL1CASP3ALDH1A1ALDH2 | |
| SCHEMBL29263641 | 0.93 | TDP1 (1.00) | TDP1L3MBTL1CASP3GSK3AGSK3B | |
| SCHEMBL31035964 | 0.93 | TDP1 (1.00) | TDP1L3MBTL1CASP3GSK3AGSK3B | |
| SCHEMBL8434811 | 0.93 | TDP1 (1.00) | TDP1L3MBTL1CASP3GSK3AGSK3B | |
| SCHEMBL9219707 | 0.93 | TDP1 (1.00) | TDP1L3MBTL1CASP3GSK3AGSK3B | |
| SCHEMBL5093425 | 0.93 | TDP1 (1.00) | TDP1L3MBTL1CASP3GSK3AGSK3B | |
| SCHEMBL29724090 | 0.88 | CASP3 (0.86) | TDP1L3MBTL1CASP3ALDH1A1ALDH2 | |
| SCHEMBL1142116 | 0.88 | CASP3 (0.86) | TDP1L3MBTL1CASP3ALDH1A1ALDH2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107674015-B | A kind of synthetic method of (±)-alpha-fluoro-gamma-amino acid | 江西师范大学 | 2019-09-24 | — | — | CN | disclosed |
| EP-3315492-A1 | PYRAZOLE DERIVATIVE, OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | Kissei Pharmaceutical Co., Ltd. (JP) | 2018-05-02 | — | — | EP | disclosed |
| CN-107674015-A | The synthetic method of one kind (±) α fluoro γ amino acid | 江西师范大学 | 2018-02-09 | — | — | CN | disclosed |
| WO-2012002913-A1 | PROCESS OF FORMING A CYCLIC IMIDE | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2012-01-05 | — | — | WO | disclosed |
| US-4921856-A | INOTROPIC AGENTS | Heumann Pharma GmbH & Company (DE) | 1990-05-01 | — | — | US | disclosed |
| EP-0304534-A1 | Dihydropyridazinone derivatives, method for their preparation and medicines containing the compounds | HEUMANN PHARMA GMBH & CO (DE) | 1989-03-01 | — | — | EP | disclosed |