Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.31 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7625494 | 0.88 | ALDH1A1 (0.40) | TSHRALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL18333661 | 0.85 | ALDH1A1 (0.38) | TSHRALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29192531 | 0.84 | TSHR (0.34) | TSHRALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL363117 | 0.83 | ALDH1A1 (0.37) | TSHRALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5885009 | 0.83 | ALDH1A1 (0.37) | TSHRALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4613505 | 0.82 | ALDH1A1 (0.36) | TSHRALDH1A1CYP3A4CYP2C9CYP2C19 | |
| Ammonia Solution, Strong SCHEMBL9221695 | 0.82 | ALDH1A1 (0.36) | TSHRALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9751967 | 0.82 | ALDH1A1 (0.36) | TSHRALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7218071 | 0.82 | ALDH1A1 (0.36) | TSHRALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL457052 | 0.82 | ALDH1A1 (0.36) | TSHRALDH1A1CYP3A4CYP2C9CYP2C19 |
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-117585963-A | Shrinkage-reducing anti-cracking type large-volume concrete and preparation method thereof | 中建商品混凝土有限公司 | 2024-02-23 | — | — | CN | claimed |
| CN-117585963-A | Shrinkage-reducing anti-cracking type large-volume concrete and preparation method thereof | 中建商品混凝土有限公司 | 2024-02-23 | — | — | CN | disclosed |