Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 2/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | METAP2 | P50579 | 2/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 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 | |
|---|---|---|---|---|
| SCHEMBL456099 | 0.73 | ALDH1A1 (0.38) | CYP2A6ALDH1A1TDP1 | |
| SCHEMBL28253602 | 0.72 | CYP2A6 (0.44) | CYP2A6ALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL30366175 | 0.68 | CYP2A6 (0.52) | CYP2A6ALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL29656897 | 0.68 | CYP2A6 (0.52) | CYP2A6ALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL1461517 | 0.68 | CYP2A6 (0.52) | CYP2A6ALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL56836 | 0.68 | CYP2A6 (0.57) | CYP2A6ALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL209399 | 0.67 | CYP2A6 (0.50) | CYP2A6ALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL146278 | 0.67 | CYP2A6 (0.50) | CYP2A6ALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL646886 | 0.66 | CYP2A6 (0.55) | CYP2A6ALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL12260028 | 0.66 | CYP2A6 (0.55) | CYP2A6ALDH1A1KDM4EMEN1MAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0752813-B1 | INHIBITORS OF METAZOAN PARASITE PROTEASES | UNIV CALIFORNIA (US) | 2002-12-11 | — | — | EP | disclosed |
| EP-0752813-A4 | INHIBITORS OF METAZOAN PARASITE PROTEASES | UNIV CALIFORNIA (US) | 1997-08-20 | — | — | EP | disclosed |
| US-5610192-A | Inhibitors of metazoan parasite proteases | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1997-03-11 | — | — | US | disclosed |
| EP-0752813-A1 | INHIBITORS OF METAZOAN PARASITE PROTEASES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1997-01-15 | — | — | EP | disclosed |
| WO-1994006280-A1 | INHIBITORS OF METAZOAN PARASITE PROTEASES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1994-03-31 | — | — | WO | disclosed |