Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GBA1 | P04062 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | BCDIN3D | Q7Z5W3 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21652179 | 0.81 | ABL1 (0.44) | ALDH1A1MAPTLMNAKDM4EHTT | |
| SCHEMBL18539226 | 0.74 | GBA1 (0.50) | ALDH1A1MAPTGBA1HTTSMN1; SMN2 | |
| SCHEMBL5355456 | 0.73 | MAPT (0.47) | ALDH1A1MAPTLMNAKDM4EHTT | |
| SCHEMBL11957892 | 0.71 | ALDH1A1 (0.57) | ALDH1A1KCNQ2MAPTLMNAKDM4E | |
| SCHEMBL28039342 | 0.70 | ALDH1A1 (0.47) | ALDH1A1KCNQ2MAPTLMNAKDM4E | |
| SCHEMBL5904052 | 0.70 | SMN1; SMN2 (0.56) | ALDH1A1KCNQ2MAPTLMNAKDM4E | |
| SCHEMBL21652270 | 0.69 | KDM4E (0.55) | ALDH1A1KCNQ2MAPTLMNAKDM4E | |
| SCHEMBL21652160 | 0.69 | DPP4 (0.43) | ALDH1A1KCNQ2MAPTLMNAHPGD | |
| SCHEMBL28467589 | 0.68 | ALDH1A1 (0.63) | ALDH1A1MAPTLMNAKDM4EHPGD | |
| SCHEMBL27704232 | 0.68 | KDM4E (0.50) | ALDH1A1MAPTLMNAKDM4EHPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020019911-A1 | BORON NITROGEN LIGAND BASED ON CHIRAL 1,2-ETHYLENEDIAMINE BACKBONE AND PREPARATION METHOD AND USE THEREOF | 中国科学院兰州化学物理研究所苏州研究院 | 2020-01-30 | — | — | WO | disclosed |