Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 4/20 | 0.47 |
| ▸ | CTSS | P25774 | 3/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 5/20 | 0.42 |
| ▸ | PPARG | P37231 | 4/20 | 0.42 |
| ▸ | ACE | P12821 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 2/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 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 | |
|---|---|---|---|---|
| SCHEMBL17846808 | 1.00 | MAPT (0.47) | MAPTCTSKCTSSATMGABRB1 | |
| SCHEMBL13002887 | 0.84 | SYK (0.49) | MAPTCTSKCTSSATMPPARA | |
| SCHEMBL16582279 | 0.84 | CTSK (0.46) | MAPTCTSKCTSSATMPPARA | |
| SCHEMBL14574455 | 0.82 | ALDH1A1 (0.38) | MAPTCTSKCTSSATMPPARA | |
| Acetone SCHEMBL2678521 | 0.81 | CTSK (0.49) | MAPTCTSKCTSSATMGABRB1 | |
| SCHEMBL15458896 | 0.81 | PPARA (0.53) | CTSKCTSSATMPPARAPPARG | |
| SCHEMBL4179331 | 0.81 | CTSK (0.44) | MAPTCTSKCTSSATMGABRB1 | |
| SCHEMBL3787393 | 0.81 | PPARA (0.53) | CTSKCTSSATMPPARAPPARG | |
| SCHEMBL12486609 | 0.81 | PPARA (0.53) | CTSKCTSSATMPPARAPPARG | |
| SCHEMBL7087412 | 0.80 | CTSK (0.51) | MAPTCTSKCTSSATMGABRB1 |
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-2016098015-A1 | NEW EFFICIENT METHODS FOR THE SYNTHESIS OF TAXANE DERIVATIVES SUCH AS DOCETAXEL AND THEIR STRUCTURAL ANALOGOUS, AND A METHOD FOR THE PREPARATION THEREOF | KARIMIAN KHASHAYAR (IR) | 2016-06-23 | — | — | WO | disclosed |