Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20106885 | 0.80 | ALDH1A1 (0.60) | ALDH1A1MAPTSMN1; SMN2NPSR1POLB | |
| SCHEMBL27953331 | 0.78 | LMNA (0.54) | ALDH1A1MAPTSMN1; SMN2POLBHTT | |
| SCHEMBL27892746 | 0.78 | ALDH1A1 (0.60) | ALDH1A1MAPTSMN1; SMN2NPSR1POLB | |
| SCHEMBL9051666 | 0.76 | ALDH1A1 (0.50) | ALDH1A1MAPTSMN1; SMN2NPSR1POLB | |
| SCHEMBL20180504 | 0.72 | NPSR1 (0.53) | ALDH1A1MAPTSMN1; SMN2NPSR1POLB | |
| SCHEMBL283988 | 0.72 | ALDH1A1 (0.52) | ALDH1A1MAPTSMN1; SMN2NPSR1POLB | |
| SCHEMBL15316122 | 0.72 | ALDH1A1 (0.61) | ALDH1A1MAPTSMN1; SMN2NPSR1POLB | |
| SCHEMBL28660347 | 0.70 | KMT2A (0.34) | ALDH1A1MAPTSMN1; SMN2HTTMEN1 | |
| Hydrochloric Acid SCHEMBL28554078 | 0.70 | ALDH1A1 (0.50) | ALDH1A1MAPTSMN1; SMN2NPSR1POLB | |
| SCHEMBL28517649 | 0.70 | ALDH1A1 (0.65) | ALDH1A1MAPTSMN1; SMN2NPSR1POLB |
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-110790728-B | Flexible tripod type polypiperazine dithiocarbazone derivatives, and preparation method and application thereof | 湖北大学 | 2021-11-26 | — | — | CN | disclosed |
| CN-110790728-A | Flexible tripod type polypiperazine dithiocarbazone derivatives, and preparation method and application thereof | 湖北大学 | 2020-02-14 | — | — | CN | disclosed |