Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.54 |
| ▸ | GAA | P10253 | 4/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | GLA | P06280 | 1/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.54 |
| ▸ | BLM | P54132 | 1/20 | 0.54 |
| ▸ | CASP6 | P55212 | 1/20 | 0.54 |
| ▸ | GFER | P55789 | 1/20 | 0.54 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.47 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.47 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28963092 | 0.86 | SMN1; SMN2 (0.58) | GAAALDH1A1SMN1; SMN2HTTLMNA | |
| SCHEMBL28962595 | 0.84 | LMNA (0.55) | TDP1GAAMAPTPRSS1ALDH1A1 | |
| SCHEMBL28965293 | 0.82 | MGLL (0.51) | GAAMAPTMAPK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL28962581 | 0.82 | ALDH1A1 (0.53) | GAAMAPTKDM4EALDH1A1CYP3A4 | |
| SCHEMBL28962614 | 0.82 | LIPE (0.51) | GAAALDH1A1SMN1; SMN2HTTKMT2A | |
| SCHEMBL2082995 | 0.82 | ALDH1A1 (0.53) | TDP1GAAMAPTKDM4EGLA | |
| SCHEMBL11675308 | 0.82 | TDP1 (0.56) | TDP1GAAMAPTKDM4EGLA | |
| SCHEMBL29046410 | 0.79 | MAPT (0.51) | TDP1MAPTKDM4ETHRBPRSS1 | |
| SCHEMBL5513692 | 0.79 | TDP1 (0.58) | TDP1GAAMAPTKDM4EGLA | |
| SCHEMBL9200842 | 0.79 | TDP1 (0.50) | TDP1GAAMAPTKDM4EGLA |
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-107001271-B | Hydroxyamidine derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2019-05-10 | — | — | CN | disclosed |
| CN-107001271-A | Hydroxyamidine derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2017-08-01 | — | — | CN | disclosed |
| WO-2017024996-A1 | HYDROXY AMIDINE DERIVATIVE, PREPARATION METHOD AND USE IN MEDICINE THEREOF | 江苏恒瑞医药股份有限公司 | 2017-02-16 | — | — | WO | disclosed |