Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.50 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 4/20 | 0.44 |
| ▸ | CTSL | P07711 | 2/20 | 0.44 |
| ▸ | CTSK | P43235 | 2/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | SLC6A9 | P48067 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7463048 | 0.79 | CYP3A4 (0.57) | CYP3A4CYP2D6PI4KBALDH1A1MAPT | |
| SCHEMBL8012604 | 0.74 | ALDH1A1 (0.59) | ALDH1A1MAPTCTSSCTSLCTSK | |
| SCHEMBL8016046 | 0.72 | CTSS (0.52) | CYP3A4CYP2D6ALDH1A1MAPTLMNA | |
| SCHEMBL7478638 | 0.69 | MEN1 (0.50) | ALDH1A1MAPTLMNAKDM4EMEN1 | |
| SCHEMBL7532393 | 0.68 | RAB9A (0.47) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL7471959 | 0.68 | KMT2A (0.54) | ALDH1A1MAPTLMNAHTTMEN1 | |
| SCHEMBL7470064 | 0.67 | CPB1 (0.48) | ALDH1A1MAPTLMNAHTTKDM4E | |
| SCHEMBL3603242 | 0.67 | HDAC1 (0.50) | ALDH1A1MAPTLMNAHTTHDAC1 | |
| SCHEMBL7472989 | 0.67 | ALDH1A1 (0.62) | ALDH1A1MAPTLMNATAAR1KDM4E | |
| SCHEMBL8119166 | 0.66 | LTA4H (0.54) | CYP3A4ALDH1A1MAPTLMNAKDM4E |
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-2000029399-A1 | ANTIHERPES COMPOUNDS | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 2000-05-25 | — | — | WO | disclosed |