Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | GMNN | O75496 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3937741 | 0.79 | ADH1B (0.48) | MEN1KMT2AGAAHPGDKDM4E | |
| SCHEMBL10937019 | 0.72 | SIGMAR1 (0.55) | SIGMAR1MEN1KMT2AL3MBTL1TAAR1 | |
| SCHEMBL10952837 | 0.71 | ALDH1A1 (0.48) | MEN1KMT2AL3MBTL1TAAR1RAB9A | |
| SCHEMBL10952830 | 0.71 | ALDH1A1 (0.48) | MEN1KMT2AL3MBTL1TAAR1RAB9A | |
| SCHEMBL8916941 | 0.71 | SIGMAR1 (0.59) | SIGMAR1MEN1KMT2AL3MBTL1HPGD | |
| SCHEMBL19711877 | 0.71 | SIGMAR1 (0.59) | SIGMAR1MEN1KMT2AL3MBTL1HPGD | |
| SCHEMBL1356645 | 0.71 | SIGMAR1 (0.65) | SIGMAR1MEN1KMT2AL3MBTL1 | |
| Hydrochloric Acid SCHEMBL2493107 | 0.69 | SIGMAR1 (0.57) | SIGMAR1MEN1KMT2AL3MBTL1HPGD | |
| SCHEMBL9901355 | 0.69 | GRIK1 (0.42) | TAAR1HPGDALDH1A1CYP1A2ALOX15 | |
| Hydrochloric Acid SCHEMBL8171548 | 0.69 | SIGMAR1 (0.57) | SIGMAR1MEN1KMT2AL3MBTL1HPGD |
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-2020156298-A1 | APPLICATION OF MALONONITRILE COMPOUND AS BACTERICIDE | 沈阳化工大学 | 2020-08-06 | — | — | WO | disclosed |