Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPA5 | P11021 | 1/20 | 0.58 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL28061899 | 0.90 | HSPA5 (0.47) | HSPA5KEAP1CYP2D6TSHRHIF1A | |
| SCHEMBL20117949 | 0.76 | TAAR1 (0.41) | DAOTAAR1 | |
| SCHEMBL20117714 | 0.76 | DAO (0.49) | DAOTAAR1IDO1 | |
| SCHEMBL11289486 | 0.76 | MAPT (0.40) | CYP2D6TSHRHIF1A | |
| SCHEMBL79201 | 0.75 | MAOA (0.47) | DAOHDAC8HDAC6 | |
| SCHEMBL49745 | 0.75 | HSPA5 (1.00) | HSPA5KEAP1CYP2D6TSHRHIF1A | |
| SCHEMBL29357407 | 0.75 | HSPA5 (1.00) | HSPA5KEAP1CYP2D6TSHRHIF1A | |
| SCHEMBL27647904 | 0.73 | DPP4 (0.47) | — | |
| SCHEMBL28180473 | 0.73 | ADRA2A (0.58) | CYP2D6TAAR1 | |
| SCHEMBL7809667 | 0.73 | HSPA5 (0.94) | HSPA5KEAP1CYP2D6TSHRHIF1A |
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-103373995-B | A kind of method preparing Malaridine | SHANGHAI DESANO PHARMACEUTICAL CO.,LTD. (CN) | 2016-04-27 | — | — | CN | claimed |
| CN-103373995-B | A kind of method preparing Malaridine | SHANGHAI DESANO PHARMACEUTICAL CO.,LTD. (CN) | 2016-04-27 | — | — | CN | disclosed |
| CN-102585844-B | Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element containing same | CHI MEI CORP | 2014-03-12 | — | — | CN | disclosed |
| CN-102585844-A | Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element containing same | CHI MEI CORP | 2012-07-18 | — | — | CN | disclosed |