Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | IDO1 | P14902 | 4/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | GRM8 | O00222 | 1/20 | 0.39 |
| ▸ | GRM6 | O15303 | 1/20 | 0.39 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL28039666 | 0.88 | ALDH1A1 (0.44) | ALDH1A1IDO1CA12CA1CA2 | |
| SCHEMBL28141976 | 0.77 | SCN4A (0.52) | — | |
| SCHEMBL28945418 | 0.77 | TSHR (0.46) | ALDH1A1IDO1KDM4EGRM8GRM6 | |
| SCHEMBL5201413 | 0.75 | ALDH1A1 (0.53) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL28039665 | 0.74 | IDO1 (0.38) | ALDH1A1IDO1CA1CA2KDM4E | |
| Hydrochloric Acid SCHEMBL23727819 | 0.74 | ALDH1A1 (0.51) | ALDH1A1IDO1CA12CA1CA2 | |
| SCHEMBL18833848 | 0.73 | LOXL2 (0.53) | ALDH1A1IDO1CA12CA1CA2 | |
| SCHEMBL942066 | 0.73 | LOXL2 (0.53) | ALDH1A1IDO1CA12CA1CA2 | |
| SCHEMBL3763101 | 0.72 | ALDH1A1 (0.46) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL2058336 | 0.72 | IDO1 (0.58) | ALDH1A1IDO1CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105017312-A | Preparation method of beta-aminoethyl phosphono derivative | UNIV SOOCHOW | 2015-11-04 | — | — | CN | disclosed |