Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.33 |
| ▸ | HTR3B | O95264 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR1E | P28566 | 1/20 | 0.33 |
| ▸ | HTR1F | P30939 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | HTR5A | P47898 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.33 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.33 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27893642 | 0.76 | CYP1A2 (0.43) | ALDH1A1TP53CYP3A4 | |
| SCHEMBL2211960 | 0.76 | ALDH1A1 (0.48) | ALDH1A1TP53CYP3A4 | |
| SCHEMBL31226430 | 0.74 | ALDH1A1 (0.47) | ALDH1A1TP53CYP3A4 | |
| SCHEMBL27519506 | 0.73 | MEN1 (0.46) | ALDH1A1LTA4HTP53CYP3A4 | |
| SCHEMBL6943999 | 0.73 | ALDH1A1 (0.58) | ALDH1A1LTA4HTP53CYP3A4 | |
| SCHEMBL28745877 | 0.71 | MAPT (0.46) | ALDH1A1TP53CYP3A4 | |
| SCHEMBL27545567 | 0.68 | ALDH1A1 (0.50) | ALDH1A1LTA4HCYP3A4 | |
| SCHEMBL23146537 | 0.67 | ALDH1A1 (0.50) | ALDH1A1HTR2AHTR2BTP53CYP3A4 | |
| SCHEMBL5050464 | 0.67 | ALDH1A1 (0.67) | ALDH1A1HTR1ATP53CYP3A4ADRA2B | |
| SCHEMBL11594837 | 0.66 | ALDH1A1 (0.46) | ALDH1A1TP53CYP3A4 |
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-1261795-A | Compounds and methods | SMITHKLINE BEECHAM CORP (US) | 2000-08-02 | — | — | CN | disclosed |