Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.44 |
| ▸ | ACP3 | P15309 | 5/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | CTSG | P08311 | 1/20 | 0.40 |
| ▸ | CMA1 | P23946 | 1/20 | 0.40 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1325659 | 0.80 | CYP1A2 (0.50) | ALDH1A1CYP2C9CYP2C19CYP1A2ADRA2A | |
| SCHEMBL29957205 | 0.79 | ALDH1A1 (0.54) | ALDH1A1CYP2C9CYP2C19CYP1A2ADRA2A | |
| SCHEMBL6005218 | 0.79 | ALDH1A1 (0.54) | ALDH1A1CYP2C9CYP2C19CYP1A2ADRA2A | |
| SCHEMBL11792145 | 0.78 | ALDH1A1 (0.48) | ALDH1A1CYP2C9CYP2C19CYP1A2ADRA2A | |
| SCHEMBL9950214 | 0.78 | ALDH1A1 (0.62) | ALDH1A1CYP2C9CYP2C19CYP1A2ADRA2A | |
| SCHEMBL30861790 | 0.78 | ALDH1A1 (0.62) | ALDH1A1CYP2C9CYP2C19CYP1A2ADRA2A | |
| SCHEMBL19514728 | 0.78 | ALDH1A1 (0.62) | ALDH1A1CYP2C9CYP2C19CYP1A2ADRA2A | |
| SCHEMBL9950211 | 0.78 | ALDH1A1 (0.62) | ALDH1A1CYP2C9CYP2C19CYP1A2ADRA2A | |
| Bicarbonate SCHEMBL18917590 | 0.78 | ALDH1A1 (0.45) | ALDH1A1CYP2C9CYP2C19CYP1A2ADRA2A | |
| SCHEMBL28818582 | 0.77 | KMT2A (0.50) | ALDH1A1CYP2C9CYP2C19CYP1A2ADRA2A |
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-113480495-A | Ga (III) off-on type fluorescent probe and preparation method and application thereof | 温州市工业科学研究院 | 2021-10-08 | — | — | CN | claimed |
| US-20050182138-A1 | Dipeptide inhibitors of beta-secretase | ELAN PHARMACEUTICALS, INC. | 2005-08-18 | — | — | US | claimed |
| CN-113480495-A | Ga (III) off-on type fluorescent probe and preparation method and application thereof | 温州市工业科学研究院 | 2021-10-08 | — | — | CN | 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-20050182138-A1 | Dipeptide inhibitors of beta-secretase | BACE1, APP, BACE2 | ALDH1A1 3256/4885CYP2C9 4801/4885CYP2C19 4626/4885 |
“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.