Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | ATR | Q13535 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RET | P07949 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.32 |
| ▸ | SSTR4 | P31391 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29005562 | 0.85 | ESR1 (0.42) | ESR1CYP4F2CYP4A11ALDH1A1HPGD | |
| SCHEMBL19249525 | 0.85 | ESR1 (0.42) | ESR1CYP4F2CYP4A11ALDH1A1ATR | |
| SCHEMBL19204856 | 0.85 | ESR1 (0.42) | ESR1CYP4F2CYP4A11ALDH1A1ATR | |
| SCHEMBL31411379 | 0.81 | ESR1 (0.40) | ESR1CYP4F2CYP4A11ALDH1A1ATR | |
| SCHEMBL29005493 | 0.81 | ESR1 (0.40) | ESR1ALDH1A1HPGDLMNAMAPT | |
| SCHEMBL31411343 | 0.80 | ESR1 (0.38) | ESR1CYP4F2CYP4A11ALDH1A1ATR | |
| SCHEMBL31411460 | 0.80 | ESR1 (0.41) | ESR1CYP4F2CYP4A11ALDH1A1ATR | |
| SCHEMBL19204873 | 0.79 | ESR1 (0.40) | ESR1CYP4F2CYP4A11ALDH1A1ATR | |
| SCHEMBL9904375 | 0.79 | CYP4F2 (0.38) | ESR1CYP4F2CYP4A11ALDH1A1ATR | |
| SCHEMBL1513052 | 0.79 | MAP3K5 (0.37) | CYP4F2CYP4A11ALDH1A1ATRLMNA |
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-113382991-A | Aminopyrimidines useful for inhibiting protein tyrosine kinase activity | 深圳市塔吉瑞生物医药有限公司 | 2021-09-10 | — | — | CN | disclosed |
| CN-110818690-B | Aminopyrimidines useful for inhibiting protein tyrosine kinase activity | 深圳市塔吉瑞生物医药有限公司 | 2021-08-10 | — | — | CN | disclosed |
| CN-110818690-A | Aminopyrimidines useful for inhibiting protein tyrosine kinase activity | 深圳市塔吉瑞生物医药有限公司 | 2020-02-21 | — | — | CN | disclosed |
| CN-108602802-B | Aminopyrimidines useful for inhibiting protein tyrosine kinase activity | 深圳市塔吉瑞生物医药有限公司 | 2020-01-21 | — | — | CN | disclosed |