Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | MMP7 | P09237 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2121108 | 0.85 | SRR (0.32) | TDP1TP53 | |
| SCHEMBL4352973 | 0.77 | GRIA2 (0.36) | CYP3A4 | |
| SCHEMBL2403790 | 0.76 | CYP3A4 (0.40) | CYP3A4TDP1TAAR1HSD17B10ALDH1A1 | |
| SCHEMBL30010410 | 0.75 | CYP3A4 (0.36) | CYP3A4TDP1TAAR1HSD17B10ALDH1A1 | |
| SCHEMBL4394628 | 0.74 | GRM4 (0.33) | — | |
| SCHEMBL28359754 | 0.72 | CYP19A1 (0.33) | HSD17B10ALDH1A1 | |
| SCHEMBL2543904 | 0.71 | CYP3A4 (0.36) | CYP3A4TDP1TAAR1HSD17B10ALDH1A1 | |
| Hydrochloric Acid SCHEMBL29144452 | 0.70 | CYP3A4 (0.34) | CYP3A4TDP1TAAR1HSD17B10ALDH1A1 | |
| SCHEMBL714828 | 0.70 | CYP3A4 (0.39) | CYP3A4TDP1TAAR1HSD17B10ALDH1A1 | |
| Sulfuric Acid SCHEMBL8640324 | 0.70 | TDP1 (0.33) | CYP3A4TDP1TAAR1HSD17B10ALDH1A1 |
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-112390959-B | Metal organic framework material containing Schiff base ligand, catalyst, preparation and application | 中国科学院大连化学物理研究所 | 2021-07-13 | — | — | CN | disclosed |
| CN-112390959-A | Metal organic framework material containing Schiff base ligand, catalyst, preparation and application | 中国科学院大连化学物理研究所 | 2021-02-23 | — | — | CN | disclosed |