Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 8/20 | 0.53 |
| ▸ | CYP1B1 | Q16678 | 8/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | CFTR | P13569 | 1/20 | 0.42 |
| ▸ | MIF | P14174 | 1/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6821081 | 1.00 | CYP1A1 (0.53) | CYP1A1CYP1B1ALDH1A1MAPTGAA | |
| SCHEMBL9493070 | 0.88 | ALDH1A1 (0.51) | CYP1A1CYP1B1ALDH1A1MAPTGAA | |
| SCHEMBL9493078 | 0.88 | ALDH1A1 (0.51) | CYP1A1CYP1B1ALDH1A1MAPTGAA | |
| SCHEMBL6170951 | 0.84 | CFTR (0.55) | CYP1A1CYP1B1ALDH1A1MAPTGAA | |
| SCHEMBL13675597 | 0.84 | CYP1A1 (0.49) | CYP1A1CYP1B1ALDH1A1MAPTGAA | |
| SCHEMBL6170944 | 0.84 | CFTR (0.55) | CYP1A1CYP1B1ALDH1A1MAPTGAA | |
| SCHEMBL1920178 | 0.81 | ALDH1A1 (0.51) | CYP1A1CYP1B1ALDH1A1MAPTKDM4E | |
| SCHEMBL30236249 | 0.81 | ALDH1A1 (0.51) | CYP1A1CYP1B1ALDH1A1MAPTKDM4E | |
| SCHEMBL584623 | 0.81 | MIF (0.63) | CYP1A1CYP1B1ALDH1A1GAAKDM4E | |
| SCHEMBL29462467 | 0.81 | MIF (0.63) | CYP1A1CYP1B1ALDH1A1GAAKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004046122-A2 | BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE ACID DERIVATIVES AND THEIR USE AS HEPARANASE INHIBITORS | OXFORD GLYCOSCIENCES (UK) LTD (GB) | 2004-06-03 | — | — | WO | disclosed |