Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.34 |
| ▸ | ACE | P12821 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL28410579 | 0.80 | ACE (0.33) | ACE | |
| SCHEMBL24925718 | 0.72 | TP53 (0.41) | — | |
| SCHEMBL12052920 | 0.68 | — | — | |
| SCHEMBL23707186 | 0.67 | SRD5A1 (0.41) | ACEALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL17641742 | 0.66 | HCAR2 (0.34) | LMNACA12CA1CA2CA3 | |
| SCHEMBL13329931 | 0.65 | PIK3CD (0.37) | — | |
| SCHEMBL20640954 | 0.65 | PTGER3 (0.35) | ALDH1A1 | |
| SCHEMBL13329936 | 0.65 | PIK3CD (0.37) | — | |
| SCHEMBL18576422 | 0.65 | PIK3CD (0.37) | — | |
| SCHEMBL15214691 | 0.65 | — | — |
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-105130871-B | A kind of sulfur derivatives and its preparation method and application of pyrrolin ketone | 南京农业大学 | 2018-11-09 | — | — | CN | disclosed |
| CN-105145577-B | A kind of application of the sulfur derivatives of pyrrolin ketone | 南京农业大学 | 2018-03-09 | — | — | CN | disclosed |
| CN-103922990-B | A kind of molecular modification of Natural occurring compounds and the method for weeding | 南京农业大学 | 2017-11-07 | — | — | CN | disclosed |