Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.81 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.81 |
| ▸ | HPGD | P15428 | 3/20 | 0.81 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.81 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.81 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.81 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.81 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.81 |
| ▸ | PDE4A | P27815 | 1/20 | 0.81 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.81 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.81 |
| ▸ | KCNA3 | P22001 | 3/20 | 0.65 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.55 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | KCNA2 | P16389 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13920849 | 0.95 | CYP3A4 (0.81) | CYP3A4CYP1A1HPGDCYP1A2CYP1B1 | |
| Khellin SCHEMBL9655 | 0.90 | CYP3A4 (1.00) | CYP3A4CYP1A1HPGDCYP1A2CYP1B1 | |
| Khellin SCHEMBL30839911 | 0.90 | CYP3A4 (1.00) | CYP3A4CYP1A1HPGDCYP1A2CYP1B1 | |
| SCHEMBL12132138 | 0.87 | CYP1A1 (0.76) | CYP3A4CYP1A1HPGDCYP1A2CYP1B1 | |
| SCHEMBL1344680 | 0.87 | CYP3A4 (0.76) | CYP3A4CYP1A1HPGDCYP1A2CYP1B1 | |
| SCHEMBL10300860 | 0.86 | CYP3A4 (0.74) | CYP3A4CYP1A1HPGDCYP1A2CYP1B1 | |
| SCHEMBL1345196 | 0.86 | CYP3A4 (0.74) | CYP3A4CYP1A1HPGDCYP1A2CYP1B1 | |
| SCHEMBL10300857 | 0.84 | CYP1A1 (0.71) | CYP3A4CYP1A1HPGDCYP1A2CYP1B1 | |
| SCHEMBL10300856 | 0.83 | CYP3A4 (0.82) | CYP3A4CYP1A1HPGDCYP1A2CYP1B1 | |
| SCHEMBL12132142 | 0.82 | ALDH1A1 (0.67) | CYP3A4CYP1A1HPGDCYP1A2CYP1B1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7507839-B2 | Therapeutic ion channel blocking agents and methods of use thereof | THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) | 2009-03-24 | — | — | US | disclosed |
| US-7507839-B2 | Therapeutic ion channel blocking agents and methods of use thereof | THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) | 2009-03-24 | — | — | US | disclosed |