Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.67 |
| ▸ | CA1 | P00915 | 4/20 | 0.56 |
| ▸ | CA2 | P00918 | 4/20 | 0.56 |
| ▸ | CA12 | O43570 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | CA3 | P07451 | 1/20 | 0.56 |
| ▸ | CA6 | P23280 | 1/20 | 0.56 |
| ▸ | CA5A | P35218 | 1/20 | 0.56 |
| ▸ | CA7 | P43166 | 1/20 | 0.56 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL9336335 | 0.82 | TLR9 (0.75) | TLR9CA1CA2CA12CA9 | |
| SCHEMBL10955319 | 0.82 | TLR9 (0.75) | TLR9CA1CA2CA12CA9 | |
| SCHEMBL2578236 | 0.80 | TLR9 (1.00) | TLR9CA1CA2CA12CA9 | |
| SCHEMBL2578234 | 0.80 | TLR9 (1.00) | TLR9CA1CA2CA12CA9 | |
| SCHEMBL343050 | 0.78 | TLR9 (0.70) | TLR9CA1CA2CA12CA9 | |
| SCHEMBL6585727 | 0.78 | TLR9 (0.70) | TLR9CA1CA2CA12CA9 | |
| SCHEMBL31540408 | 0.77 | TLR9 (0.61) | TLR9CA1CA2CA12CA9 | |
| SCHEMBL15108575 | 0.76 | TLR9 (0.67) | TLR9CA1CA2CA12CA9 | |
| SCHEMBL12616930 | 0.76 | TLR9 (0.67) | TLR9CA1CA2CA12CA9 | |
| SCHEMBL10857803 | 0.76 | TLR9 (0.67) | TLR9CA1CA2CA12CA9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103420894-A | 2- butane-1,4-diketone compounds, preparation method and applications | SHANGHAI INST MATERIA MEDICA | 2013-12-04 | — | — | CN | claimed |
| CN-103420894-A | 2- butane-1,4-diketone compounds, preparation method and applications | SHANGHAI INST MATERIA MEDICA | 2013-12-04 | — | — | CN | disclosed |
| CN-1902191-A | Amidopyrazole derivative | DAIICHI SEIYAKU CO (JP) | 2007-01-24 | — | — | CN | disclosed |
| CN-1041919-C | N-(3-piperidinylcarbonyl)-beta-alanine derivatives as PAF antagonists | FUJISAWA PHARMACEUTICAL CO (JP) | 1999-02-03 | — | — | CN | disclosed |
| CN-1116847-A | N- (3-piperidinylcarbonyl) -beta-aminopropionic acid derivatives as PAF antagonists | FUJISAWA PHARMACEUTICAL CO (JP) | 1996-02-14 | — | — | CN | disclosed |