Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 11/20 | 0.94 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.94 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | NQO2 | P16083 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL36453 | 0.97 | CYP2A6 (1.00) | CYP2A6TDP1CYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL28081333 | 0.97 | CYP2A6 (1.00) | CYP2A6TDP1CYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL29372904 | 0.97 | CYP2A6 (1.00) | CYP2A6TDP1CYP1A2ALDH1A1CYP3A4 | |
| Ethane SCHEMBL11323050 | 0.94 | CYP2A6 (0.94) | CYP2A6TDP1CYP1A2ALDH1A1CYP3A4 | |
| Lithium SCHEMBL31073469 | 0.94 | CYP2A6 (0.94) | CYP2A6TDP1CYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL28514959 | 0.94 | CYP2A6 (0.94) | CYP2A6TDP1CYP1A2ALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL7988310 | 0.94 | CYP2A6 (0.94) | CYP2A6TDP1CYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL10886090 | 0.94 | CYP2A6 (0.94) | CYP2A6TDP1CYP1A2ALDH1A1CYP3A4 | |
| Methane SCHEMBL16096368 | 0.94 | CYP2A6 (0.94) | CYP2A6TDP1CYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL10886086 | 0.94 | CYP2A6 (0.94) | CYP2A6TDP1CYP1A2ALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115117469-A | Alkali metal fluoride/carbon composite material and preparation and application thereof | 华中科技大学 | 2022-09-27 | — | — | CN | claimed |
| CN-115117469-A | Alkali metal fluoride/carbon composite material and preparation and application thereof | 华中科技大学 | 2022-09-27 | — | — | CN | disclosed |