Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MIF | P14174 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6598540 | 0.79 | TSHR (0.50) | NOS2ALDH1A1TRPA1CYP3A4MIF | |
| SCHEMBL10571996 | 0.78 | HIF1A (0.44) | TP53ALDH1A1TRPA1CYP3A4MIF | |
| SCHEMBL1852892 | 0.77 | ALDH1A1 (0.40) | TP53NOS2ALDH1A1TRPA1CYP3A4 | |
| SCHEMBL10667652 | 0.77 | TSHR (0.44) | TP53NOS2ALDH1A1TRPA1CYP3A4 | |
| SCHEMBL8251 | 0.76 | NOS2 (0.43) | TP53NOS2ALDH1A1TRPA1CYP3A4 | |
| SCHEMBL4762887 | 0.70 | TRPA1 (0.41) | TP53NOS2ALDH1A1TRPA1CYP3A4 | |
| SCHEMBL2145 | 0.69 | ALDH1A1 (0.50) | TP53NOS2ALDH1A1TRPA1CYP3A4 | |
| SCHEMBL1653 | 0.68 | ALDH1A1 (0.55) | TP53NOS2ALDH1A1TRPA1CYP3A4 | |
| SCHEMBL11226500 | 0.68 | SMN1; SMN2 (0.42) | TP53NOS2ALDH1A1TRPA1CYP3A4 | |
| SCHEMBL2270 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4268510-A | DEMETHANIZATION, METABOLISM, RUMEN | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1981-05-19 | — | — | US | claimed |
| EP-0010348-A1 | Heterocyclic trichloromethyl derivatives, process for their preparation and their use | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1980-04-30 | — | — | EP | claimed |
| CN-114957510-A | Functional modified polyglucose sorbitol carboxymethyl ether and preparation method thereof | 西安超磁纳米生物科技有限公司 | 2022-08-30 | — | — | CN | disclosed |