Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 9/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 9/20 | 0.43 |
| ▸ | S1PR2 | O95136 | 8/20 | 0.43 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.43 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.43 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.43 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.43 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 3/20 | 0.42 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL23850595 | 0.98 | ALDH1A1 (0.47) | ALDH1A1MAPTS1PR1S1PR3S1PR2 | |
| Trifluoroacetic Acid SCHEMBL28484990 | 0.98 | ALDH1A1 (0.47) | ALDH1A1MAPTS1PR1S1PR3S1PR2 | |
| Trifluoroacetic Acid SCHEMBL27742918 | 0.98 | ALDH1A1 (0.47) | ALDH1A1MAPTS1PR1S1PR3S1PR2 | |
| Trifluoroacetic Acid SCHEMBL28627218 | 0.87 | ALDH1A1 (0.61) | ALDH1A1MAPTS1PR1S1PR3S1PR2 | |
| Trifluoroacetic Acid SCHEMBL31581663 | 0.86 | ALDH1A1 (0.44) | ALDH1A1S1PR1S1PR3S1PR2GRIK1 | |
| Trifluoroacetic Acid SCHEMBL28159128 | 0.85 | GSR (0.38) | ALDH1A1MAPT | |
| Oxalic Acid SCHEMBL16467153 | 0.84 | ALDH1A1 (0.50) | ALDH1A1MAPTS1PR1S1PR3S1PR2 | |
| Tuaminoheptane SCHEMBL23174984 | 0.83 | OPRM1 (0.61) | MAPTS1PR1S1PR3S1PR2GRIK1 | |
| Acetic Acid SCHEMBL7566097 | 0.82 | ALDH1A1 (0.53) | ALDH1A1MAPTS1PR1S1PR3S1PR2 | |
| Acetic Acid SCHEMBL5231341 | 0.82 | ALDH1A1 (0.53) | ALDH1A1MAPTS1PR1S1PR3S1PR2 |
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-117858879-A | CDK2/4/6 inhibitor and preparation method and application thereof | 南京再明医药有限公司 | 2024-04-09 | — | — | CN | disclosed |
| CN-116529246-A | N- [ (1, 3-benzoxazol-2-yl) -heterocycle ] amide derivatives for the treatment and prevention of hepatitis b virus infection | 豪夫迈·罗氏有限公司 | 2023-08-01 | — | — | CN | disclosed |
| CN-103717571-B | The tetracycline compound that 9-amino methyl replaces | KBP BIOSCIENCES Co.,Ltd. (CN) | 2016-01-13 | — | — | CN | disclosed |