Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | MYC | P01106 | 4/20 | 0.47 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.47 |
| ▸ | MLYCD | O95822 | 1/20 | 0.47 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | APEX1 | P27695 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10858384 | 0.90 | ALDH1A1 (0.47) | ALDH1A1ALOX15NPC1MYCNR4A1 | |
| SCHEMBL8048603 | 0.87 | ALDH1A1 (0.61) | ALDH1A1ALOX15NPC1MYCNR4A1 | |
| SCHEMBL26134988 | 0.84 | NPC1 (0.70) | ALDH1A1ALOX15NPC1 | |
| SCHEMBL29467270 | 0.83 | NPC1 (0.68) | ALDH1A1ALOX15NPC1MYCNR4A1 | |
| SCHEMBL2492855 | 0.83 | NPC1 (0.68) | ALDH1A1ALOX15NPC1MYCNR4A1 | |
| SCHEMBL1715918 | 0.81 | NPC1 (0.71) | ALDH1A1ALOX15NPC1MYCNR4A1 | |
| SCHEMBL227731 | 0.81 | NPC1 (0.71) | ALDH1A1ALOX15NPC1MYCNR4A1 | |
| SCHEMBL3808106 | 0.80 | ALDH1A1 (0.70) | ALDH1A1ALOX15NPC1MYCNR4A1 | |
| SCHEMBL226006 | 0.79 | ALDH1A1 (0.57) | ALDH1A1ALOX15L3MBTL1GAAPOLB | |
| SCHEMBL10922043 | 0.79 | ALDH1A1 (0.50) | ALDH1A1ALOX15NPC1MYCNR4A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111606824-B | Beta-amino nitrile compound and preparation method thereof | 东北师范大学 | 2023-03-14 | — | — | CN | disclosed |
| CN-108200760-B | Benzodiazepine derivatives as RSV inhibitors | 英安塔制药有限公司 | 2022-04-01 | — | — | CN | disclosed |
| CN-111606824-A | Beta-amino nitrile compound and preparation method thereof | 东北师范大学 | 2020-09-01 | — | — | CN | disclosed |
| US-20120004208-A1 | BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS | GOBBI LUCA (CH) | 2012-01-05 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120004208-A1 | BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS | HTR2A, HTR3A, HTR2C | ALDH1A1 1315/4885ALOX15 3716/4885NPC1 4131/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.