Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | PYGL | P06737 | 4/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13737510 | 0.84 | APEX1 (0.38) | CYP3A4APEX1TSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL11814814 | 0.83 | RAB9A (0.44) | CYP3A4APEX1TSHRSMN1; SMN2PRKCZ | |
| SCHEMBL11512190 | 0.82 | APEX1 (0.44) | CYP3A4APEX1TSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL9721940 | 0.81 | CYP3A4 (0.43) | CYP3A4APEX1TSHRSMN1; SMN2PRKCZ | |
| SCHEMBL13735919 | 0.78 | APEX1 (0.41) | APEX1SMN1; SMN2PRKCZALDH1A1LMNA | |
| SCHEMBL3705026 | 0.77 | TSHR (0.50) | TSHRSMN1; SMN2ALDH1A1LMNAPOLB | |
| SCHEMBL3707450 | 0.74 | HTR2A (0.48) | TSHRSMN1; SMN2ALDH1A1HPGDPOLB | |
| SCHEMBL4346130 | 0.74 | CA1 (0.51) | MAPT | |
| SCHEMBL526256 | 0.73 | TSHR (0.39) | CYP3A4APEX1TSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL9232118 | 0.72 | ALDH1A1 (0.35) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012149093-A1 | 2-GUANIDINO-4-OXO-IMIDAZOLINE DERIVATIVES AS ANTIMALARIAL AGENTS, SYNTHESIS AND METHODS OF USE THEREOF | THE UNITED STATES OF AMERICA, as represented by THE SECRETARY OF ARMY (US) | 2012-11-01 | — | — | WO | disclosed |