Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 2/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7532913 | 1.00 | MIF (0.45) | MIFSLC6A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL547207 | 0.92 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL29450615 | 0.92 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL1330646 | 0.92 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL29648886 | 0.92 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL29450632 | 0.92 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL714591 | 0.92 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL8850662 | 0.82 | AKR1B1 (0.35) | MIFADRA2AADRA2BADRA2CADRA1A | |
| SCHEMBL211770 | 0.82 | MIF (0.63) | MIFALDH1A1CYP2C9CYP2C19ADRA2A | |
| SCHEMBL7980 | 0.82 | MIF (0.63) | MIFALDH1A1CYP2C9CYP2C19ADRA2A |
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-1189891-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-03-27 | — | — | EP | disclosed |
| WO-2001000594-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-01-04 | — | — | WO | disclosed |