Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 4/20 | 0.36 |
| ▸ | CES1 | P23141 | 4/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.33 |
| ▸ | F12 | P00748 | 1/20 | 0.33 |
| ▸ | F7 | P08709 | 1/20 | 0.33 |
| ▸ | F3 | P13726 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28858549 | 1.00 | ALDH1A1 (0.42) | ALDH1A1HIF1ATSHRDAONAPRT | |
| SCHEMBL28858498 | 0.81 | TSHR (0.55) | ALDH1A1TSHRDAONAPRTCES2 | |
| SCHEMBL28858491 | 0.79 | TSHR (0.46) | ALDH1A1HIF1ATSHRDAONAPRT | |
| SCHEMBL28858517 | 0.79 | TSHR (0.46) | ALDH1A1HIF1ATSHRDAONAPRT | |
| SCHEMBL28858535 | 0.79 | TSHR (0.46) | ALDH1A1HIF1ATSHRDAONAPRT | |
| SCHEMBL28858448 | 0.79 | TSHR (0.46) | ALDH1A1HIF1ATSHRDAONAPRT | |
| SCHEMBL28858488 | 0.79 | TSHR (0.46) | ALDH1A1HIF1ATSHRDAONAPRT | |
| SCHEMBL28557347 | 0.79 | TSHR (0.46) | ALDH1A1HIF1ATSHRDAONAPRT | |
| SCHEMBL28858578 | 0.79 | TSHR (0.46) | ALDH1A1HIF1ATSHRDAONAPRT | |
| SCHEMBL28858563 | 0.79 | CES1 (0.39) | ALDH1A1TSHRDAONAPRTCES2 |
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-115197046-B | Halogenation method of unsaturated hydrocarbon | 华南理工大学 | 2023-12-15 | — | — | CN | disclosed |
| CN-115197046-A | Halogenation method of unsaturated hydrocarbon | 华南理工大学 | 2022-10-18 | — | — | CN | disclosed |