Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGAM | O43451 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SI | P14410 | 1/20 | 0.44 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2950462 | 0.87 | ALDH1A1 (0.35) | GAAMEN1CYP1A2CYP3A4CYP2C19 | |
| Water SCHEMBL9419678 | 0.85 | ALDH1A1 (0.34) | GAAMEN1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL11463262 | 0.83 | MGAM (0.39) | MGAMGAASIMGAM2MEN1 | |
| SCHEMBL10540741 | 0.81 | SMN1; SMN2 (0.36) | GAAMEN1CYP1A2CYP3A4CYP2C19 | |
| Ether SCHEMBL9419673 | 0.80 | MGAM (0.37) | MGAMGAASIMGAM2MEN1 | |
| SCHEMBL6671880 | 0.80 | MGAM (0.31) | MGAMGAASIMGAM2MEN1 | |
| SCHEMBL10666847 | 0.79 | SIGMAR1 (0.43) | MEN1KMT2AALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL28394692 | 0.79 | SMN1; SMN2 (0.44) | MGAMGAASIMGAM2KMT2A | |
| SCHEMBL762068 | 0.78 | L3MBTL1 (0.35) | GAAMEN1CYP1A2CYP2C19KMT2A | |
| SCHEMBL1820165 | 0.78 | L3MBTL1 (0.34) | GAAALDH1A1MAPT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103159668-B | 2-hydroxyl-4-oxygen-2-butylene acid compounds and pharmaceutical applications thereof | TIANJIN INTERNATIONAL JOINT ACADEMY OF BIOTECHNOLOGY & MEDICINE (CN) | 2016-12-14 | — | — | CN | claimed |
| CN-110177787-A | Integrin antagonists | 圣路易斯大学 | 2019-08-27 | — | — | CN | disclosed |
| CN-110041186-A | The preparation and application of two condensation body of Kessazulen aldehyde | 中国海洋大学 | 2019-07-23 | — | — | CN | disclosed |
| CN-110041246-A | The synthesis and application of novel Kessazulen sesquiterpene alkaloids | 中国海洋大学 | 2019-07-23 | — | — | CN | disclosed |
| CN-106604921-A | Process for large scale production of 1-isopropyl-3-{5- [1-(3-methoxypropyl) piperidin-4-yl]-[1,3,4]oxadiazol-2-yl}- 1h-indazole oxalate | 苏文生命科学有限公司 | 2017-04-26 | — | — | CN | disclosed |
| CN-103159668-B | 2-hydroxyl-4-oxygen-2-butylene acid compounds and pharmaceutical applications thereof | TIANJIN INTERNATIONAL JOINT ACADEMY OF BIOTECHNOLOGY & MEDICINE (CN) | 2016-12-14 | — | — | CN | disclosed |