Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CHAT | P28329 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29549980 | 0.98 | CYP1A2 (0.48) | CYP1A2CYP2A6CA1CA2ALDH1A1 | |
| SCHEMBL186670 | 0.98 | CYP1A2 (0.48) | CYP1A2CYP2A6CA1CA2ALDH1A1 | |
| SCHEMBL29977314 | 0.98 | CYP1A2 (0.48) | CYP1A2CYP2A6CA1CA2ALDH1A1 | |
| Methane SCHEMBL28604850 | 0.95 | CYP1A2 (0.46) | CYP1A2CYP2A6CA1CA2ALDH1A1 | |
| Biphenyl SCHEMBL28003550 | 0.89 | CYP2A6 (0.41) | CYP1A2CYP2A6CA1CA2ALDH1A1 | |
| SCHEMBL1933777 | 0.85 | HPRT1 (0.58) | CYP1A2CYP2A6CA1CA2ALDH1A1 | |
| SCHEMBL29291198 | 0.82 | SLC6A4 (0.42) | CYP1A2CYP2A6CA1CA2ALDH1A1 | |
| SCHEMBL6894903 | 0.82 | FABP7 (0.39) | CYP1A2CYP2A6CA1CA2ALDH1A1 | |
| Phthalic Anhydride SCHEMBL28434150 | 0.81 | ALOX15 (0.48) | CA1CA2ALDH1A1TDP1HPGD | |
| SCHEMBL25212172 | 0.80 | CYP2A6 (0.41) | CYP1A2CYP2A6CA1CA2ALDH1A1 |
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-114369114-B | Method for preparing benzogermanium pyrrole compound by inducing intramolecular cyclization reaction by using lithium naphthalide, product and application | 杭州师范大学 | 2024-06-25 | — | — | CN | disclosed |