Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | CETP | P11597 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | PRCP | P42785 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | FADS1 | O60427 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2034061 | 1.00 | P2RX7 (0.36) | P2RX7GRM2CETPCHRM1BCHE | |
| SCHEMBL2013111 | 0.83 | KDM4E (0.35) | GRM2CHRM1ALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL2014394 | 0.76 | MAPT (0.48) | PKMALDH1A1SMN1; SMN2L3MBTL1MAPT | |
| SCHEMBL2012604 | 0.75 | FKBP1A (0.32) | ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL2014112 | 0.68 | TSHR (0.38) | ALDH1A1MAPT | |
| SCHEMBL2014015 | 0.68 | TSHR (0.38) | ALDH1A1MAPT | |
| SCHEMBL2011648 | 0.68 | TSHR (0.38) | ALDH1A1MAPT | |
| SCHEMBL2038718 | 0.64 | LMNA (0.33) | ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL28541786 | 0.63 | TNKS (0.43) | GRM2ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL22499927 | 0.63 | EPHX2 (0.40) | ALDH1A1SMN1; SMN2L3MBTL1MAPT |
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-2513069-A1 | ANTIFUNGAL COMPOUNDS | Katholieke Universiteit Leuven (BE) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011072345-A1 | ANTIFUNGAL COMPOUNDS | KATHOLIEKE UNIVERSITEIT LEUVEN (BE) | 2011-06-23 | — | — | WO | disclosed |