Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 6/20 | 0.45 |
| ▸ | CA1 | P00915 | 6/20 | 0.45 |
| ▸ | CA2 | P00918 | 6/20 | 0.45 |
| ▸ | CA7 | P43166 | 6/20 | 0.45 |
| ▸ | CA9 | Q16790 | 6/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.44 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL818486 | 0.89 | TSHR (0.40) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL819133 | 0.83 | TSHR (0.39) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL819891 | 0.83 | TSHR (0.45) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL818456 | 0.79 | CA12 (0.44) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL818732 | 0.79 | KDM4E (0.43) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL9831004 | 0.79 | TSHR (0.39) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL817764 | 0.77 | ALDH1A1 (0.42) | TSHRESR1MAPTMEN1KMT2A | |
| SCHEMBL818392 | 0.77 | CA12 (0.42) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL818164 | 0.74 | TSHR (0.45) | TSHRESR1CYP1A2CYP3A4NR1H2 | |
| SCHEMBL5338308 | 0.74 | KMT2A (0.42) | TSHRCA12CA1CA2CA7 |
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-119143704-A | Preparation method for preparing five-membered ring diene compound by inverse D-A reaction | 中国科学院大连化学物理研究所 | 2024-12-17 | — | — | CN | disclosed |