Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.44 |
| ▸ | ANPEP | P15144 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.40 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | CFTR | P13569 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24420260 | 1.00 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDRCE1ANPEP | |
| SCHEMBL29527061 | 1.00 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDRCE1ANPEP | |
| SCHEMBL311587 | 0.86 | ITGA4 (0.46) | ALDH1A1KDM4EHPGDRCE1 | |
| SCHEMBL1662078 | 0.86 | ITGA4 (0.46) | ALDH1A1KDM4EHPGDRCE1 | |
| SCHEMBL1889629 | 0.78 | TRPM8 (0.59) | ALDH1A1ANPEPGAAMEN1KMT2A | |
| SCHEMBL1889631 | 0.78 | TRPM8 (0.59) | ALDH1A1ANPEPGAAMEN1KMT2A | |
| SCHEMBL24326690 | 0.78 | TRPM8 (0.59) | ALDH1A1ANPEPGAAMEN1KMT2A | |
| SCHEMBL29107632 | 0.78 | ALDH1A1 (0.51) | ALDH1A1KDM4EGAAMEN1KMT2A | |
| SCHEMBL29526198 | 0.78 | ALDH1A1 (0.51) | ALDH1A1KDM4EGAAMEN1KMT2A | |
| SCHEMBL5843965 | 0.77 | ALDH1A1 (0.42) | ALDH1A1KDM4EHPGDRCE1HTT |
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-116635378-A | Bicyclic 1, 4-diazacycloheptanones and therapeutic uses thereof | 赛特凯恩蒂克公司 | 2023-08-22 | — | — | CN | disclosed |