Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2B6 | P20813 | 1/20 | 0.64 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.56 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.56 |
| ▸ | TBXAS1 | P24557 | 9/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | QPCT | Q16769 | 1/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | PRKCI | P41743 | 1/20 | 0.42 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.42 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.42 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11049587 | 1.00 | CYP2B6 (0.64) | CYP2B6HRH4HRH3TBXAS1GAA | |
| SCHEMBL11047220 | 0.98 | CYP2B6 (0.61) | CYP2B6HRH4HRH3TBXAS1GAA | |
| SCHEMBL16163635 | 0.95 | CYP2B6 (0.62) | CYP2B6HRH4HRH3TBXAS1GAA | |
| SCHEMBL11051486 | 0.89 | CYP2B6 (0.68) | CYP2B6HRH4HRH3TBXAS1GAA | |
| SCHEMBL11050188 | 0.89 | CYP2B6 (0.68) | CYP2B6HRH4HRH3TBXAS1GAA | |
| Iodide SCHEMBL16164357 | 0.88 | CYP2B6 (0.66) | CYP2B6HRH4HRH3TBXAS1GAA | |
| SCHEMBL24833961 | 0.87 | CYP2B6 (0.53) | CYP2B6HRH4HRH3TBXAS1GAA | |
| SCHEMBL10784468 | 0.84 | TBXAS1 (0.49) | CYP2B6HRH4HRH3TBXAS1GAA | |
| SCHEMBL11720830 | 0.84 | TBXAS1 (0.53) | CYP2B6HRH4HRH3TBXAS1GAA | |
| SCHEMBL6174188 | 0.83 | TBXAS1 (0.52) | CYP2B6HRH4HRH3TBXAS1GAA |
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-20230001400-A9 | REMOVAL OF HOMOGENEOUS CATALYSTS FROM NMR/MRI AGENTS HYPERPOLARIZED VIA SABRE OR PHIP | BOARD OF TRUSTEES OF SOUTHERN ILLINOIS UNIVERSITY (US) | 2023-01-05 | — | — | US | disclosed |