Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CFTR | P13569 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | RCE1 | Q9Y256 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1699762 | 0.87 | ALDH1A1 (0.50) | ALDH1A1ADRA2BPTGS1TDP1LMNA | |
| SCHEMBL5334635 | 0.83 | ALDH1A1 (0.46) | ALDH1A1ADRA2BPTGS1TDP1LMNA | |
| SCHEMBL28790810 | 0.80 | ALDH1A1 (0.43) | ALDH1A1ADRA2BPTGS1TDP1LMNA | |
| SCHEMBL30118861 | 0.79 | ALDH1A1 (0.52) | ALDH1A1ADRA2BPTGS1TDP1LMNA | |
| SCHEMBL27430826 | 0.78 | KDM4E (0.46) | ALDH1A1LMNACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL31306469 | 0.76 | LMNA (0.50) | ALDH1A1TDP1LMNACYP1A2CYP2C9 | |
| SCHEMBL31306482 | 0.76 | CA1 (0.54) | ALDH1A1TDP1LMNAKDM4EMAPT | |
| SCHEMBL3222697 | 0.76 | LMNA (0.60) | TDP1LMNAMAPTSMN1; SMN2TSHR | |
| SCHEMBL27846610 | 0.76 | MEN1 (0.39) | CYP1A2CYP2C9CYP2C19MAPTCRHBP | |
| SCHEMBL569537 | 0.75 | INPPL1 (0.57) | ALDH1A1ADRA2BPTGS1TDP1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108350006-B | Deuterium-modified Brigatinib derivative, pharmaceutical composition containing compound and application of deuterium-modified Brigatinib derivative | 正大天晴药业集团股份有限公司 | 2020-01-03 | — | — | CN | disclosed |