Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | AURKA | O14965 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.36 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.36 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27853659 | 0.85 | SCN1A (0.35) | AURKAEGFRDHODH | |
| SCHEMBL27870360 | 0.83 | OPRM1 (0.36) | EGFRTAS2R14DHODH | |
| SCHEMBL27870327 | 0.83 | RAB9A (0.38) | ALDH1A1KMT2AMEN1MAPTNPSR1 | |
| SCHEMBL185437 | 0.83 | ALDH1A1 (0.45) | ALDH1A1TDP1AURKAKMT2AMEN1 | |
| SCHEMBL27870350 | 0.82 | AURKA (0.45) | ALDH1A1TDP1AURKAKMT2AMEN1 | |
| SCHEMBL27870364 | 0.82 | PTGS2 (0.37) | ALDH1A1KMT2AMEN1SLC22A12CYP2C9 | |
| SCHEMBL27870351 | 0.75 | ALDH1A1 (0.43) | ALDH1A1TDP1AURKAKMT2AMEN1 | |
| SCHEMBL14957673 | 0.74 | ALDH1A1 (0.41) | ALDH1A1TDP1AURKAKMT2AMEN1 | |
| SCHEMBL185694 | 0.73 | AKR1C3 (0.47) | ALDH1A1TDP1AURKAKMT2AMEN1 | |
| SCHEMBL185313 | 0.72 | ALDH1A1 (0.43) | ALDH1A1TDP1AURKAKMT2AMEN1 |
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-102414177-B | Compounds as bradykinin B1 antagonists | BOEHRINGER INGELHEIM INT | 2014-07-02 | — | — | CN | disclosed |
| CN-102414177-A | Compounds as bradykinin b1 antagonists | BOEHRINGER INGELHEIM INT | 2012-04-11 | — | — | CN | disclosed |