Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA4 | P22748 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | PYCR1 | P32322 | 3/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | IGLV6-57 | P01721 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TYMS | P04818 | 2/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13338103 | 0.88 | CA12 (0.63) | CA12CA1CA2CA4CA7 | |
| SCHEMBL27371476 | 0.79 | CYP2C19 (0.53) | PYCR1CYP2C19TSHRTYMSDHFR | |
| SCHEMBL27265464 | 0.79 | PYCR1 (0.57) | CA12CA1CA2CA4CA7 | |
| SCHEMBL21755799 | 0.78 | CA12 (0.50) | CA12CA1CA2CA4CA7 | |
| SCHEMBL14947360 | 0.77 | GLA (0.48) | PYCR1CYP2C19TSHRALDH1A1ACHE | |
| SCHEMBL121718 | 0.77 | CA12 (0.53) | CA12CA1CA2CA4CA7 | |
| SCHEMBL17076687 | 0.77 | CA12 (0.58) | CA12CA1CA2CA4CA7 | |
| SCHEMBL10126415 | 0.77 | CA12 (0.53) | CA12CA1CA2CA4CA7 | |
| SCHEMBL10430153 | 0.76 | CA12 (0.52) | CA12CA1CA2CA4CA7 | |
| SCHEMBL23960143 | 0.74 | CA12 (0.50) | CA12CA1CA2CA4CA7 |
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-118993898-A | 1, 7-Dihalogenated-1, 6-heptadiyne derivative and preparation method thereof, and polymer of 1, 7-dihalogenated-1, 6-heptadiyne derivative and preparation method and application thereof | 西南林业大学 | 2024-11-22 | — | — | CN | disclosed |