Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | LOXL2 | Q9Y4K0 | 8/20 | 0.48 |
| ▸ | ABAT | P80404 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | F10 | P00742 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.41 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL8898551 | 0.80 | ABAT (0.48) | HRH3LOXL2ABATCA1CA2 | |
| SCHEMBL15828 | 0.76 | HRH3 (0.79) | HRH3LOXL2ABATCA1CA2 | |
| SCHEMBL2154613 | 0.74 | ALDH1A1 (0.44) | CA2TAAR1 | |
| Formaldehyde SCHEMBL28778127 | 0.74 | HRH3 (0.65) | HRH3LOXL2ABATCA1CA2 | |
| Hydrochloric Acid SCHEMBL3162690 | 0.73 | HRH3 (0.73) | HRH3LOXL2ABATCA1CA2 | |
| Bromide SCHEMBL29198706 | 0.73 | HRH3 (0.73) | HRH3LOXL2ABATCA1CA2 | |
| Iodide SCHEMBL28395414 | 0.73 | HRH3 (0.73) | HRH3LOXL2ABATCA1CA2 | |
| Hydrochloric Acid SCHEMBL3168189 | 0.73 | HRH3 (0.73) | HRH3LOXL2ABATCA1CA2 | |
| Iodide SCHEMBL29191162 | 0.73 | HRH3 (0.73) | HRH3LOXL2ABATCA1CA2 | |
| SCHEMBL28906282 | 0.72 | MAOB (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110078766-A | Phosphonylation benzimidazole and compound of isobioquin group and preparation method thereof | 郑州大学 | 2019-08-02 | — | — | CN | disclosed |
| CN-109136972-A | A kind of preparation method of substituted phosphoramide types compound | 中国科学技术大学 | 2019-01-04 | — | — | CN | disclosed |