Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CTSS | P25774 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SI | P14410 | 1/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 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 | |
|---|---|---|---|---|
| SCHEMBL20280675 | 1.00 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2 | |
| SCHEMBL18059449 | 0.84 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2 | |
| SCHEMBL17034685 | 0.84 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2 | |
| SCHEMBL2617389 | 0.83 | CYP1A2 (0.68) | CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2 | |
| SCHEMBL27581318 | 0.83 | CYP1A2 (0.68) | CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2 | |
| SCHEMBL7641486 | 0.83 | CYP1A2 (0.68) | CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2 | |
| SCHEMBL5623452 | 0.82 | KLK7 (0.52) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL14456732 | 0.82 | KLK7 (0.52) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL4772969 | 0.81 | CA1 (0.55) | CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2 | |
| SCHEMBL14777840 | 0.81 | CYP1A2 (0.60) | CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2 |
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-2018107236-A1 | NOVEL COMPOUNDS AS ANTI-MYCOBACTERIALS | THE UNIVERSITY OF SYDNEY (AU) | 2018-06-21 | — | — | WO | disclosed |