Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 5/20 | 0.33 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | ALB | P02768 | 1/20 | 0.33 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16506791 | 0.85 | CES2 (0.40) | RIPK1KDM4EMEN1USP2ALDH1A1 | |
| SCHEMBL8802370 | 0.83 | HSD17B1 (0.39) | RIPK1GPBAR1MEN1LMNAKMT2A | |
| SCHEMBL1512084 | 0.82 | KEAP1 (0.42) | RIPK1KDM4EALDH1A1KEAP1HTT | |
| SCHEMBL17102728 | 0.79 | KEAP1 (0.46) | RIPK1KDM4EALDH1A1KEAP1HTT | |
| SCHEMBL28799519 | 0.77 | HCAR3 (0.44) | KDM4EMEN1ALDH1A1LMNAHPGD | |
| SCHEMBL17542593 | 0.76 | HTT (0.35) | KDM4EMEN1ALDH1A1HPGDKMT2A | |
| SCHEMBL2257841 | 0.74 | LMNA (0.35) | KDM4EMEN1ALDH1A1LMNAHPGD | |
| SCHEMBL5480662 | 0.73 | RECQL (0.41) | RIPK1MEN1ALDH1A1LMNAKMT2A | |
| SCHEMBL57513 | 0.72 | DGAT1 (0.41) | ALDH1A1LMNAKMT2A | |
| SCHEMBL22804522 | 0.72 | CYP1A2 (0.37) | RIPK1KDM4EMEN1ALDH1A1LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113121575-A | (substituted phenyl) (substituted pyrimidine) amino derivative and preparation method and pharmaceutical application thereof | 四川海思科制药有限公司 | 2021-07-16 | — | — | CN | disclosed |
| CN-106458969-A | (substituted phenyl) (substituted pyrimidine) amino derivative and preparation method and pharmaceutical application thereof | 四川海思科制药有限公司 | 2017-02-22 | — | — | CN | disclosed |
| WO-2016029839-A1 | (SUBSTITUTED PHENYL) (SUBSTITUTED PYRIMIDINE) AMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICATION USE | 四川海思科制药有限公司 | 2016-03-03 | — | — | WO | disclosed |