Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 1/20 | 0.61 |
| ▸ | CES2 | O00748 | 3/20 | 0.53 |
| ▸ | CES1 | P23141 | 3/20 | 0.53 |
| ▸ | LTA4H | P09960 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.44 |
| ▸ | EDNRB | P24530 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Anisole SCHEMBL5864971 | 0.84 | CA4 (0.78) | CA4CES2CES1LTA4HCA1 | |
| Anisole SCHEMBL4965675 | 0.84 | CA4 (0.78) | CA4CES2CES1LTA4HCA1 | |
| Anisole SCHEMBL29140274 | 0.81 | CA4 (0.74) | CA4CES2CES1LTA4HCA1 | |
| Anisole SCHEMBL28307620 | 0.81 | CA4 (0.74) | CA4CES2CES1LTA4HCA1 | |
| Anisole SCHEMBL3008918 | 0.81 | CA4 (0.74) | CA4CES2CES1LTA4HCA1 | |
| Anisole SCHEMBL5696157 | 0.81 | CA4 (0.74) | CA4CES2CES1LTA4HCA1 | |
| Anisole SCHEMBL5079940 | 0.81 | CA4 (0.74) | CA4CES2CES1LTA4HCA1 | |
| Anisole SCHEMBL30068922 | 0.81 | CA4 (0.74) | CA4CES2CES1LTA4HCA1 | |
| Anisole SCHEMBL29169488 | 0.81 | CA4 (0.93) | CA4CES2CES1LTA4HCA1 | |
| Anisole SCHEMBL9696388 | 0.79 | CA4 (0.70) | CA4CES2CES1LTA4HCA1 |
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-106946682-B | A kind of preparation method of propine acid compounds | 大连理工大学 | 2019-09-27 | — | — | CN | disclosed |
| CN-108404983-A | A kind of preparation and its application of ordered mesoporous phenolic resin Polymer-supported silver catalyst | 华东师范大学 | 2018-08-17 | — | — | CN | disclosed |
| CN-107759472-A | A kind of intermediate of lamp-dish flower acetic and its preparation method and application | 昆明龙津药业股份有限公司 | 2018-03-06 | — | — | CN | disclosed |
| CN-107759646-A | A kind of synthetic method of lamp-dish flower acetic | 昆明龙津药业股份有限公司 | 2018-03-06 | — | — | CN | disclosed |
| CN-107759551-A | A kind of synthetic method of breviscapine B aglycone | 昆明龙津药业股份有限公司 | 2018-03-06 | — | — | CN | disclosed |
| CN-107353194-A | A kind of preparation method of propine acid compounds | 大连理工大学 | 2017-11-17 | — | — | CN | disclosed |
| CN-106187904-A | 2-phenylimidazole analog derivative containing propioloyl amido and preparation method thereof and pharmaceutical composition and purposes | 中国医学科学院药物研究所 | 2016-12-07 | — | — | CN | disclosed |
| CN-106187969-A | A kind of preparation method of 4 aryl-coumarin compounds | 山东省医学科学院药物研究所 | 2016-12-07 | — | — | CN | disclosed |