Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | MMP7 | P09237 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | STAT3 | P40763 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13311101 | 0.90 | HTT (0.44) | KLKB1HTTALDH1A1SMN1; SMN2CA1 | |
| SCHEMBL26027084 | 0.87 | KLKB1 (0.51) | KLKB1HTTALDH1A1SMN1; SMN2MMP1 | |
| SCHEMBL17805687 | 0.83 | STAT3 (0.42) | ALDH1A1SMN1; SMN2CA1CA2STAT3 | |
| SCHEMBL13311225 | 0.81 | STAT3 (0.48) | HTTALDH1A1SMN1; SMN2CA1CA2 | |
| SCHEMBL13311216 | 0.81 | HTT (0.45) | KLKB1HTTALDH1A1SMN1; SMN2CA1 | |
| SCHEMBL16392367 | 0.81 | SPHK1 (0.40) | KLKB1FURIN | |
| SCHEMBL16847756 | 0.81 | SPHK1 (0.40) | KLKB1FURIN | |
| SCHEMBL16771793 | 0.81 | LTA4H (0.38) | SIRT5FURIN | |
| SCHEMBL13311212 | 0.80 | CA1 (0.42) | KLKB1HTTALDH1A1SMN1; SMN2CA1 | |
| SCHEMBL21012451 | 0.80 | L3MBTL1 (0.53) | KLKB1HTTALDH1A1SMN1; SMN2MMP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2121667-B1 | CHEMICAL LINKERS WITH SINGLE AMINO ACIDS AND CONJUGATES THEREOF | SQUIBB & SONS LLC (US) | 2016-06-08 | — | — | EP | disclosed |