Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | CCR2 | P41597 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1022343 | 0.81 | ALDH1A1 (0.47) | MIFALDH1A1ABCB11NR3C1CYP1A2 | |
| SCHEMBL7475089 | 0.76 | MIF (0.42) | MIFALDH1A1ABCB11NR3C1CYP1A2 | |
| SCHEMBL6226870 | 0.75 | TSHR (0.53) | MIFALDH1A1ABCB11NR3C1CYP1A2 | |
| SCHEMBL4658430 | 0.73 | TYR (0.54) | ADRA2AADRA2CTYRKMT2AMEN1 | |
| SCHEMBL29374052 | 0.71 | ALDH1A1 (0.62) | MIFALDH1A1ABCB11NR3C1CYP1A2 | |
| SCHEMBL207554 | 0.71 | ALDH1A1 (0.62) | MIFALDH1A1ABCB11NR3C1CYP1A2 | |
| SCHEMBL28864346 | 0.69 | CYP3A4 (0.52) | ALDH1A1CYP3A4HPGDTDP1GABRA1 | |
| SCHEMBL330977 | 0.69 | GABRA1 (0.43) | MIFALDH1A1ABCB11NR3C1CYP1A2 | |
| SCHEMBL18245123 | 0.69 | CYP3A4 (0.43) | MIFALDH1A1ABCB11NR3C1CYP1A2 | |
| SCHEMBL6664156 | 0.69 | MIF (0.50) | MIFALDH1A1CYP3A4HPGDHSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1126833-A4 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES INC (US) | 2004-09-08 | — | — | EP | disclosed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | disclosed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | disclosed |