Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MYLK | Q15746 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 5/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 2/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | ACE | P12821 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17399090 | 0.80 | MYLK (0.38) | MYLKMEN1KMT2ARAB9ANPC1 | |
| SCHEMBL28890315 | 0.76 | ALDH1A1 (0.38) | MYLKMEN1KMT2ARAB9ANPC1 | |
| SCHEMBL10994406 | 0.75 | MYLK (0.43) | MYLKMEN1KMT2AGAARAB9A | |
| SCHEMBL5259661 | 0.69 | MAOA (0.35) | MEN1KMT2AHTR2CHTR2BALDH1A1 | |
| SCHEMBL28091148 | 0.67 | ALDH1A1 (0.37) | MYLKMEN1KMT2AGAARAB9A | |
| SCHEMBL19061114 | 0.64 | KDM4E (0.37) | GAARAB9ANPC1HTR2CHTR2B | |
| SCHEMBL27706968 | 0.63 | BCHE (0.34) | POLBALDH1A1SMN1; SMN2BCHEACHE | |
| SCHEMBL17689827 | 0.62 | MAOA (0.31) | BCHEACHE | |
| SCHEMBL11886360 | 0.61 | MAOA (0.37) | MEN1KMT2AGAARAB9ANPC1 | |
| SCHEMBL17340255 | 0.61 | ALOX5 (0.31) | — |
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-111116511-A | Benzothiazole biological thiol probe and preparation method and application thereof | 湖南科技大学 | 2020-05-08 | — | — | CN | claimed |
| CN-111116511-A | Benzothiazole biological thiol probe and preparation method and application thereof | 湖南科技大学 | 2020-05-08 | — | — | CN | disclosed |