Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR4 | Q13639 | 11/20 | 0.60 |
| ▸ | ACHE | P22303 | 9/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HTR6 | P50406 | 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 | |
|---|---|---|---|---|
| SCHEMBL548885 | 0.85 | HTR4 (0.69) | HTR4ACHEMEN1ALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL1078403 | 0.84 | HTR4 (0.68) | HTR4ACHEMEN1ALDH1A1CYP3A4 | |
| SCHEMBL7644206 | 0.81 | HTR4 (0.74) | HTR4ACHEMEN1ALDH1A1CYP3A4 | |
| SCHEMBL16403712 | 0.79 | HTR4 (0.70) | HTR4ACHEMEN1ALDH1A1CYP2D6 | |
| SCHEMBL17709619 | 0.75 | HTR4 (1.00) | HTR4ACHEMEN1ALDH1A1CYP2D6 | |
| SCHEMBL17709650 | 0.75 | ACHE (1.00) | HTR4ACHE | |
| SCHEMBL17709640 | 0.75 | HTR4 (0.66) | HTR4ACHEMEN1ALDH1A1CYP2D6 | |
| SCHEMBL548884 | 0.67 | HTR4 (1.00) | HTR4ACHEMEN1ALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL1078401 | 0.66 | HTR4 (0.98) | HTR4ACHEMEN1ALDH1A1CYP3A4 | |
| SCHEMBL7360980 | 0.66 | HTR4 (0.57) | HTR4ACHEMEN1ALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-20020039599-A1 | Calibration; administering antiseptic compound | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2002-04-04 | — | — | US | disclosed |