Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | SCN4A | P35499 | 9/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | SCN1A | P35498 | 2/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.40 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.40 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28295132 | 0.97 | CYP1A2 (0.43) | CYP1A2CYP2A6ALDH1A1KDM4EHPGD | |
| SCHEMBL437049 | 0.73 | HSP90AA1 (0.50) | CYP1A2CYP2A6ALDH1A1KDM4EHPGD | |
| SCHEMBL28105460 | 0.72 | ALDH1A1 (0.46) | CYP1A2CYP2A6ALDH1A1KDM4EHPGD | |
| SCHEMBL145464 | 0.71 | ALDH1A1 (0.48) | CYP1A2CYP2A6ALDH1A1KDM4EHPGD | |
| Phosphine SCHEMBL21753753 | 0.71 | HSP90AA1 (0.48) | CYP1A2CYP2A6ALDH1A1KDM4EHPGD | |
| SCHEMBL15562538 | 0.70 | ALDH1A1 (0.39) | CYP1A2CYP2A6ALDH1A1KDM4EHPGD | |
| Hydrochloric Acid SCHEMBL27616261 | 0.70 | SCN4A (0.41) | CYP1A2CYP2A6ALDH1A1KDM4EHPGD | |
| SCHEMBL2094083 | 0.70 | SCN4A (0.54) | CYP1A2ALDH1A1KDM4ESCN4ATSHR | |
| SCHEMBL3288767 | 0.69 | CYP1A2 (0.43) | CYP1A2CYP2A6ALDH1A1KDM4EHPGD | |
| SCHEMBL30686934 | 0.69 | CYP1A2 (0.43) | CYP1A2CYP2A6ALDH1A1KDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-106103535-B | Tetracyclododecane opening polymerization polymer hydride and its manufacturing method | 日本瑞翁株式会社 | 2019-04-23 | — | — | CN | disclosed |