Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | APLNR | P35414 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5409226 | 0.79 | CTSK (0.45) | CTSKCA2CA12CA14TDP1 | |
| SCHEMBL5409221 | 0.79 | CTSK (0.45) | CTSKCA2CA12CA14TDP1 | |
| SCHEMBL15739550 | 0.77 | TDP1 (0.38) | CTSKCA2CA12CA14TDP1 | |
| SCHEMBL6759476 | 0.76 | HDAC6 (0.32) | CTSKCA2CA12CA14DGAT1 | |
| SCHEMBL6759479 | 0.76 | HDAC6 (0.32) | CTSKCA2CA12CA14DGAT1 | |
| SCHEMBL31430383 | 0.76 | CTSK (0.41) | CTSKCA2CA12CA14TDP1 | |
| SCHEMBL2877516 | 0.76 | CTSK (0.39) | CTSKCA2CA12CA14TDP1 | |
| SCHEMBL22288334 | 0.74 | TDP1 (0.43) | CTSKCA2CA12CA14TDP1 | |
| SCHEMBL28454875 | 0.74 | TDP1 (0.43) | CTSKCA2CA12CA14TDP1 | |
| SCHEMBL22884398 | 0.73 | CA12 (0.30) | CA2CA12CA14 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111718361-A | Metal beta-lactamase inhibitor and preparation method and application thereof | 南京工业大学 | 2020-09-29 | — | — | CN | claimed |
| CN-111718361-B | Metal beta-lactamase inhibitor and preparation method and application thereof | 南京工业大学 | 2022-04-05 | — | — | CN | disclosed |
| CN-111718361-A | Metal beta-lactamase inhibitor and preparation method and application thereof | 南京工业大学 | 2020-09-29 | — | — | CN | disclosed |