Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | CASP6 | P55212 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 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 | |
|---|---|---|---|---|
| SCHEMBL5656649 | 0.81 | PDE3B (0.39) | ALDH1A1TDP1L3MBTL1MEN1KMT2A | |
| SCHEMBL3345352 | 0.80 | MAPT (0.38) | ALDH1A1TDP1L3MBTL1MEN1KMT2A | |
| SCHEMBL30197316 | 0.80 | ALDH1A1 (0.54) | ALDH1A1TDP1MEN1KMT2AMAPT | |
| SCHEMBL29467143 | 0.80 | MAPT (0.38) | ALDH1A1TDP1L3MBTL1MEN1KMT2A | |
| SCHEMBL843559 | 0.80 | ALDH1A1 (0.54) | ALDH1A1TDP1MEN1KMT2AMAPT | |
| Ammonia Solution, Strong SCHEMBL27851817 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TDP1MEN1KMT2AMAPT | |
| SCHEMBL5126783 | 0.77 | PKM (0.42) | ALDH1A1TDP1MEN1KMT2AMAPT | |
| SCHEMBL2596737 | 0.77 | ALDH1A1 (0.41) | ALDH1A1TDP1MEN1KMT2AMAPT | |
| SCHEMBL2596971 | 0.77 | GPR35 (0.44) | ALDH1A1TDP1MEN1KMT2AMAPT | |
| SCHEMBL18032590 | 0.77 | ALDH1A1 (0.41) | ALDH1A1TDP1MEN1KMT2ASMN1; SMN2 |
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-109071563-A | Inhibitors of bruton's tyrosine kinase and methods of use thereof | 詹森药业有限公司 | 2018-12-21 | — | — | CN | disclosed |
| CN-108884106-A | POLYCYCLIC COMPOUNDS AS INHIBITORS OF BRUTON'S TYROSINE KINASE | 詹森药业有限公司 | 2018-11-23 | — | — | CN | disclosed |
| CN-105339355-B | Novel CYP17 inhibitor/antiandrogen | 奥赖恩公司 | 2018-02-27 | — | — | CN | disclosed |
| CN-105339355-A | Novel CYP17 inhibitor/antiandrogen | ORION CORP | 2016-02-17 | — | — | CN | disclosed |