Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | VDR | P11473 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | XBP1 | P17861 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8080584 | 0.89 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C9GAAVDR | |
| SCHEMBL8080588 | 0.89 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C9GAAVDR | |
| SCHEMBL859822 | 0.86 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2C9GAAVDR | |
| SCHEMBL29838651 | 0.86 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2C9GAAVDR | |
| SCHEMBL8087971 | 0.81 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C9GAAVDR | |
| SCHEMBL8088854 | 0.81 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C9GAAVDR | |
| SCHEMBL8088864 | 0.79 | DNMT1 (0.39) | ALDH1A1CYP1A2CYP2C9MAPTKMT2A | |
| SCHEMBL2177419 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2C9GAAVDR | |
| SCHEMBL426217 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2C9GAAVDR | |
| SCHEMBL9276203 | 0.76 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP2C9GAAVDR |
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 |
|---|---|---|---|---|---|---|---|
| US-6160128-A | Tritioacetylating reagents and processes for preparation thereof | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2000-12-12 | — | — | US | claimed |
| US-6160128-A | Tritioacetylating reagents and processes for preparation thereof | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2000-12-12 | — | — | US | disclosed |