Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.66 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.66 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.66 |
| ▸ | HPGD | P15428 | 4/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.66 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.66 |
| ▸ | PDE4A | P27815 | 2/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.66 |
| ▸ | THRB | P10828 | 1/20 | 0.66 |
| ▸ | MAOA | P21397 | 4/20 | 0.58 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | ACHE | P22303 | 1/20 | 0.58 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.58 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.58 |
| ▸ | KCNA3 | P22001 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Visnagin SCHEMBL31670263 | 0.81 | ADORA3 (1.00) | CYP3A4ALDH1A1ADORA3CYP1A1HPGD | |
| Visnagin SCHEMBL498450 | 0.81 | ADORA3 (1.00) | CYP3A4ALDH1A1ADORA3CYP1A1HPGD | |
| Khellin SCHEMBL30839911 | 0.81 | CYP3A4 (1.00) | CYP3A4ALDH1A1ADORA3CYP1A1HPGD | |
| Khellin SCHEMBL9655 | 0.81 | CYP3A4 (1.00) | CYP3A4ALDH1A1ADORA3CYP1A1HPGD | |
| Bergapten SCHEMBL9792363 | 0.81 | CYP3A4 (0.74) | CYP3A4ALDH1A1ADORA3CYP1A1HPGD | |
| Methoxsalen SCHEMBL598765 | 0.78 | CYP3A4 (0.82) | CYP3A4ALDH1A1ADORA3CYP1A1HPGD | |
| Methoxsalen SCHEMBL2302069 | 0.77 | CYP3A4 (1.00) | CYP3A4ALDH1A1CYP1A1HPGDCYP1A2 | |
| Methoxsalen SCHEMBL19168 | 0.77 | CYP3A4 (1.00) | CYP3A4ALDH1A1CYP1A1HPGDCYP1A2 | |
| Methoxsalen SCHEMBL29376525 | 0.77 | CYP3A4 (1.00) | CYP3A4ALDH1A1CYP1A1HPGDCYP1A2 | |
| Methoxsalen SCHEMBL6142553 | 0.75 | CYP3A4 (0.97) | CYP3A4ALDH1A1CYP1A1HPGDCYP1A2 |
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-2013176955-A1 | CARDIOPROTECTIVE COMPOUNDS, THEIR USE WITH CHEMOTHERAPY, AND METHODS FOR IDENTIFYING THEM | THE GENERAL HOSPITAL CORPORATION (US) | 2013-11-28 | — | — | WO | disclosed |