Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | ERN1 | O75460 | 4/20 | 0.44 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | TLR2 | O60603 | 1/20 | 0.38 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.38 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6048618 | 0.83 | CA1 (0.47) | CA1CA2ERN1PIM1PIM2 | |
| SCHEMBL2032770 | 0.83 | ERN1 (0.47) | CA1CA2ERN1SRCALDH1A1 | |
| SCHEMBL3214106 | 0.81 | ALDH1A1 (0.47) | CA1CA2ERN1PIM1PIM2 | |
| SCHEMBL2043979 | 0.81 | PTPN1 (0.53) | CA1CA2ERN1PIM1PIM2 | |
| SCHEMBL680844 | 0.80 | CA1 (0.61) | CA1CA2ERN1SRCALDH1A1 | |
| SCHEMBL17531796 | 0.80 | CA1 (0.45) | CA1CA2ERN1PIM1PIM2 | |
| SCHEMBL1806253 | 0.80 | CA1 (0.45) | CA1CA2ERN1PIM1PIM2 | |
| SCHEMBL9454738 | 0.80 | CA1 (0.67) | CA1CA2ERN1PIM1PIM2 | |
| SCHEMBL29940732 | 0.80 | CA1 (0.45) | CA1CA2ERN1PIM1PIM2 | |
| SCHEMBL20607751 | 0.80 | ALDH1A1 (0.37) | CA1CA2ERN1PIM1PIM2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109195608-A | Boron-containing small molecules | 比尔及梅琳达盖茨基金会 | 2019-01-11 | — | — | CN | disclosed |
| CN-104725397-B | Thienopyrimidine derivative, its preparation method and the Pharmaceutical composition containing them | 法国施维雅药厂 | 2017-11-28 | — | — | CN | disclosed |