Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2221490 | 0.84 | SMN1; SMN2 (0.70) | HTTKDM4ESMN1; SMN2GAAMAPK1 | |
| SCHEMBL5362778 | 0.82 | HTT (0.71) | HTTKDM4ESMN1; SMN2GAAPOLB | |
| SCHEMBL14919231 | 0.82 | KMT2A (0.48) | KDM4ESMN1; SMN2GAAMAPK1PTGDR2 | |
| SCHEMBL8577079 | 0.79 | TDP1 (0.59) | HTTSMN1; SMN2MAPK1PTGDR2ALDH1A1 | |
| SCHEMBL6538778 | 0.79 | ALDH1A1 (0.57) | HTTKDM4ESMN1; SMN2GAAMAPK1 | |
| SCHEMBL10420902 | 0.77 | PTGDR2 (0.40) | KDM4ESMN1; SMN2GAAMAPK1PTGDR2 | |
| SCHEMBL6539052 | 0.77 | USP2 (0.56) | KDM4ESMN1; SMN2MAPK1ALDH1A1HPGD | |
| SCHEMBL5520675 | 0.76 | SMN1; SMN2 (0.72) | HTTKDM4ESMN1; SMN2POLBHPGD | |
| SCHEMBL5214442 | 0.76 | HTT (0.62) | HTTKDM4ESMN1; SMN2GAAPOLB | |
| SCHEMBL1933278 | 0.76 | GAA (0.63) | HTTKDM4ESMN1; SMN2GAAPOLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107674077-A | 8 [base of 3 amino piperidine 1] Xanthine compounds, its preparation method and purposes as pharmaceutical preparation | 勃林格殷格翰制药两合公司 | 2018-02-09 | — | — | CN | disclosed |
| CN-105001222-B | 8 [base of 3 amino piperidine 1] Xanthine compounds, its preparation method and purposes as pharmaceutical preparation | 勃林格殷格翰制药两合公司 | 2017-11-07 | — | — | CN | disclosed |
| CN-102964347-B | 8-[3-amino-piperadine-1-base]-Xanthine compounds, its preparation method and the purposes as pharmaceutical preparation | BOEHRINGER INGELHEIM PHARMACEUTICAL CO., LTD. (DE) | 2015-11-18 | — | — | CN | disclosed |
| CN-105001222-A | New 8-(3-amino-piperidin-1-yl)-xanthine derivatives, preparing method and uses thereof as a pharmaceutic preparation | BOEHRINGER INGELHEIM PHARMA | 2015-10-28 | — | — | CN | disclosed |