Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.45 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | CYP2A13 | Q16696 | 5/20 | 0.43 |
| ▸ | PTAFR | P25105 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL3451869 | 0.86 | ALDH1A1 (0.60) | ALDH1A1KDM4ENOS3NOS2PTAFR | |
| SCHEMBL7699664 | 0.78 | HRH3 (0.55) | ALDH1A1NPC1TP53TSHRMAPK1 | |
| SCHEMBL7706897 | 0.73 | ALDH1A1 (0.50) | ALDH1A1NPC1TP53TSHRMAPK1 | |
| SCHEMBL7698346 | 0.73 | TSHR (0.42) | ALDH1A1NPC1TP53TSHRMAPK1 | |
| SCHEMBL29361631 | 0.73 | KDM4E (0.60) | ALDH1A1KDM4ETP53MEN1KMT2A | |
| SCHEMBL7509399 | 0.73 | KDM4E (0.60) | ALDH1A1KDM4ETP53MEN1KMT2A | |
| SCHEMBL7703268 | 0.73 | CYP2A13 (0.41) | ALDH1A1NPC1TP53TSHRMAPK1 | |
| SCHEMBL7701109 | 0.73 | TSHR (0.41) | ALDH1A1NPC1TP53TSHRMAPK1 | |
| SCHEMBL14919523 | 0.72 | ALDH1A1 (1.00) | ALDH1A1KDM4ENPC1TSHRRAB9A | |
| SCHEMBL30952110 | 0.72 | ALDH1A1 (1.00) | ALDH1A1KDM4ENPC1TSHRRAB9A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105431422-B | Isoindoline or isoquinoline compounds, process for their preparation and pharmaceutical compositions containing them | 法国施维雅药厂 | 2019-08-30 | — | — | CN | disclosed |
| CN-109456324-A | New isoindoline or isoquinoline compound, preparation method and the Pharmaceutical composition containing them | 法国施维雅药厂 | 2019-03-12 | — | — | CN | disclosed |
| CN-105408321-B | Indoles and azole derivatives, their preparation method and the pharmaceutical composition containing them | 法国施维雅药厂 | 2019-03-08 | — | — | CN | disclosed |
| CN-104341451-B | New phosphate compound, its preparation method and the pharmaceutical composition containing them | 瑟维尔实验室 | 2018-04-03 | — | — | CN | disclosed |
| CN-104341395-B | Novel azole compounds, process for their preparation and pharmaceutical compositions containing them | 瑟维尔实验室 | 2017-07-04 | — | — | CN | disclosed |
| CN-106674201-A | Pyrrole compounds, method of preparing same and pharmaceutical compositions containing the compounds | 法国施维雅药厂 | 2017-05-17 | — | — | CN | disclosed |
| CN-106674196-A | Pyrrole compounds, method of preparing same and pharmaceutical compositions containing them | 法国施维雅药厂 | 2017-05-17 | — | — | CN | disclosed |
| CN-104144930-B | New indolizine derivatives, method for preparing same and pharmaceutical compositions containing same | 瑟维尔实验室 | 2017-02-22 | — | — | CN | disclosed |