Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | MYC | P01106 | 1/20 | 0.40 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23521275 | 0.91 | KMT2A (0.50) | ALDH1A1ALOX15KDM4EKMT2ATDP1 | |
| SCHEMBL29360777 | 0.91 | KMT2A (0.50) | ALDH1A1ALOX15KDM4EKMT2ATDP1 | |
| SCHEMBL1935639 | 0.91 | KMT2A (0.50) | ALDH1A1ALOX15KDM4EKMT2ATDP1 | |
| SCHEMBL23521291 | 0.91 | KMT2A (0.50) | ALDH1A1ALOX15KDM4EKMT2ATDP1 | |
| SCHEMBL29869129 | 0.91 | KMT2A (0.50) | ALDH1A1ALOX15KDM4EKMT2ATDP1 | |
| SCHEMBL1934052 | 0.90 | KMT2A (0.49) | ALDH1A1ALOX15KDM4EKMT2ATDP1 | |
| Ammonia Solution, Strong SCHEMBL29034511 | 0.90 | KMT2A (0.49) | ALDH1A1ALOX15KDM4EKMT2ATDP1 | |
| SCHEMBL3122937 | 0.90 | KMT2A (0.49) | ALDH1A1ALOX15KDM4EKMT2ATDP1 | |
| Potassium SCHEMBL31438078 | 0.90 | KMT2A (0.49) | ALDH1A1ALOX15KDM4EKMT2ATDP1 | |
| SCHEMBL5435365 | 0.90 | KMT2A (0.49) | ALDH1A1ALOX15KDM4EKMT2ATDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108947946-B | Brain injury resistant deuterated compound and medical application thereof | 泰州华元医药科技有限公司 | 2022-10-28 | — | — | CN | disclosed |
| CN-108947946-A | Anti- cerebral injury deuterated compound and its medical usage | 泰州华元医药科技有限公司 | 2018-12-07 | — | — | CN | disclosed |