Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 4/20 | 1.00 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 1.00 |
| ▸ | MEN1 | O00255 | 3/20 | 1.00 |
| ▸ | MAPT | P10636 | 2/20 | 1.00 |
| ▸ | GAA | P10253 | 1/20 | 1.00 |
| ▸ | HPGD | P15428 | 1/20 | 1.00 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | PHGDH | O43175 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11773070 | 0.85 | ALDH1A1 (0.73) | ALDH1A1KMT2AL3MBTL1MEN1MAPT | |
| SCHEMBL2553666 | 0.78 | ALDH1A1 (0.64) | ALDH1A1KMT2AL3MBTL1MEN1MAPT | |
| SCHEMBL9317256 | 0.76 | ALDH1A1 (0.59) | ALDH1A1KMT2AL3MBTL1MEN1MAPT | |
| SCHEMBL9317299 | 0.76 | ALDH1A1 (0.59) | ALDH1A1KMT2AL3MBTL1MEN1MAPT | |
| SCHEMBL9297051 | 0.76 | ALDH1A1 (0.64) | ALDH1A1KMT2AL3MBTL1MEN1MAPT | |
| SCHEMBL3068207 | 0.76 | ALDH1A1 (0.64) | ALDH1A1KMT2AL3MBTL1MEN1MAPT | |
| Hydrochloric Acid SCHEMBL11246737 | 0.74 | ALDH1A1 (0.61) | ALDH1A1KMT2AL3MBTL1MEN1MAPT | |
| SCHEMBL3900737 | 0.74 | ALDH1A1 (0.58) | ALDH1A1KMT2AL3MBTL1MEN1MAPT | |
| SCHEMBL21625862 | 0.74 | HSP90AA1 (0.73) | ALDH1A1KMT2AL3MBTL1MEN1MAPT | |
| SCHEMBL3079487 | 0.73 | ALDH1A1 (0.57) | ALDH1A1KMT2AL3MBTL1MEN1MAPT |
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-113061121-B | Method for catalyzing hydrodesulfurization of thioamide derivative | 精华制药集团南通有限公司 | 2023-04-11 | — | — | CN | disclosed |
| CN-113061121-A | Method for catalyzing hydrodesulfurization of thioamide derivative | 精华制药集团南通有限公司 | 2021-07-02 | — | — | CN | disclosed |