Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | ADH1B | P00325 | 1/20 | 0.35 |
| ▸ | ADH1C | P00326 | 1/20 | 0.35 |
| ▸ | ADH1A | P07327 | 1/20 | 0.35 |
| ▸ | ADH7 | P40394 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7574843 | 0.76 | ALDH1A1 (0.42) | ALDH1A1ADH1BADH1CADH1AADH7 | |
| SCHEMBL1833672 | 0.76 | ALDH1A1 (0.42) | ALDH1A1ADH1BADH1CADH1AADH7 | |
| SCHEMBL6542102 | 0.73 | HTT (0.43) | ALDH1A1ADH1BADH1CADH1AADH7 | |
| SCHEMBL4642647 | 0.69 | L3MBTL1 (0.40) | ALDH1A1NPSR1ALOX15KMT2AHTT | |
| SCHEMBL8394596 | 0.69 | ALDH1A1 (0.39) | ALDH1A1NPSR1ALOX15KMT2AHTT | |
| SCHEMBL11810371 | 0.69 | TSHR (0.36) | ALDH1A1NPSR1ALOX15KMT2AHTT | |
| SCHEMBL10535478 | 0.67 | ALDH1A1 (0.40) | ALDH1A1NPSR1KMT2AMEN1NPC1 | |
| SCHEMBL4581727 | 0.65 | NPSR1 (0.41) | ALDH1A1NPSR1KMT2AHTTMEN1 | |
| SCHEMBL28655712 | 0.64 | TDP1 (0.59) | ALDH1A1ALOX15KMT2AMEN1NPC1 | |
| SCHEMBL724771 | 0.63 | — | — |
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-106397420-B | 3- (5- aryl-1,3,4-oxdiazole -2- bases) asarinin analog derivative, preparation method and application | 郑州大学 | 2018-10-09 | — | — | CN | claimed |
| CN-106397420-A | 3-(5-aryl-1,3-4-oxadiazole-2-yl)sarisan derivatives, and preparation method and application thereof | 郑州大学 | 2017-02-15 | — | — | CN | claimed |
| CN-106397420-B | 3- (5- aryl-1,3,4-oxdiazole -2- bases) asarinin analog derivative, preparation method and application | 郑州大学 | 2018-10-09 | — | — | CN | disclosed |
| CN-106397420-A | 3-(5-aryl-1,3-4-oxadiazole-2-yl)sarisan derivatives, and preparation method and application thereof | 郑州大学 | 2017-02-15 | — | — | CN | disclosed |