Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP12 | P39900 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15283934 | 0.82 | KCNH2 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL9770050 | 0.82 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL14251994 | 0.82 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL6777687 | 0.79 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL7820636 | 0.78 | HMGCR (0.56) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL10454358 | 0.78 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL15283973 | 0.78 | KCNH2 (0.42) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL15283823 | 0.73 | HDAC1 (0.60) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL22146785 | 0.73 | APP (0.44) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL9094995 | 0.73 | NPSR1 (0.44) | CYP1A2CYP3A4CYP2C9CYP2C19THPO |
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 |
|---|---|---|---|---|---|---|---|
| EP-2059496-A1 | ACETYLENIC COMPOUNDS | Commonwealth Scientific and Industrial Research Organisation (AU) | 2009-05-20 | — | — | EP | disclosed |
| WO-2008031157-A1 | ACETYLENIC COMPOUNDS | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2008-03-20 | — | — | WO | disclosed |