Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA4 | P22748 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TGM2 | P21980 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | GSR | P00390 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29982561 | 0.92 | CYP3A4 (0.42) | CA1CA2CA4CA12CA7 | |
| SCHEMBL24220 | 0.92 | CYP3A4 (0.42) | CA1CA2CA4CA12CA7 | |
| SCHEMBL8388403 | 0.87 | MAPT (0.44) | CA1CA2CA4CA12CA7 | |
| Acrylic Acid SCHEMBL27752640 | 0.85 | ALDH1A1 (0.50) | AKT1CA1CA2CA4CA12 | |
| Acrylic Acid SCHEMBL8405124 | 0.82 | LMNA (0.50) | AKT1CA1CA2CA4CA12 | |
| Acrylic Acid SCHEMBL1740591 | 0.82 | LMNA (0.50) | AKT1CA1CA2CA4CA12 | |
| Acrylic Acid SCHEMBL31542555 | 0.82 | LMNA (0.50) | AKT1CA1CA2CA4CA12 | |
| Acrylic Acid SCHEMBL28312369 | 0.82 | LMNA (0.50) | AKT1CA1CA2CA4CA12 | |
| Acetone SCHEMBL15254621 | 0.81 | ALDH1A1 (0.50) | CA1CA2CA4CA12CA7 | |
| Acrylic Acid SCHEMBL28669848 | 0.81 | TSHR (0.49) | CA1CA2CA9LMNAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112542231-A | MapReduce and big data-based management method and system for number of cases for surgical prophylaxis | 杭州杏林信息科技有限公司 | 2021-03-23 | — | — | CN | disclosed |