Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK2 | Q13002 | 4/20 | 0.53 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7995686 | 0.71 | TEK (0.58) | GRIK2GRIK1MAPTNPSR1LMNA | |
| SCHEMBL16317583 | 0.69 | GRIK2 (0.79) | GRIK2GRIK1MAPTNPSR1LMNA | |
| SCHEMBL14035628 | 0.69 | GRIK2 (0.59) | GRIK2GRIK1GFERMAPTNPSR1 | |
| SCHEMBL17694697 | 0.68 | KDM4E (0.51) | GRIK2GRIK1CA1CA2CA9 | |
| SCHEMBL3365852 | 0.68 | GRIK2 (0.61) | GRIK2GRIK1MAPTNPSR1LMNA | |
| SCHEMBL197522 | 0.67 | CA1 (0.79) | CA1CA2CA7CA9CA12 | |
| SCHEMBL6733562 | 0.67 | CA1 (0.79) | CA1CA2CA7CA9CA12 | |
| SCHEMBL9151672 | 0.67 | CA1 (0.79) | CA1CA2CA7CA9CA12 | |
| 1,4-Dimethoxybenzene SCHEMBL21802643 | 0.64 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| 1,4-Dimethoxybenzene SCHEMBL8489 | 0.64 | CA1 (1.00) | CA1CA2CA7CA9CA12 |
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-113135958-B | Application of nitrogen heterocyclic carbene selenium-gold compound in preparation of carbapenem-resistant acinetobacter baumannii resistant medicine | 南京中医药大学 | 2022-05-27 | — | — | CN | disclosed |