Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.44 |
| ▸ | HRH2 | P25021 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | PRMT5 | O14744 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28883687 | 1.00 | CYP1A2 (0.49) | CYP1A2HSD17B10CYP3A4ALOX15CYP2C19 | |
| SCHEMBL29501322 | 0.82 | MAPK1 (0.42) | CYP1A2HSD17B10CYP3A4ALOX15CYP2C19 | |
| SCHEMBL25389374 | 0.82 | MAPK1 (0.42) | CYP1A2HSD17B10CYP3A4ALOX15CYP2C19 | |
| SCHEMBL28999356 | 0.79 | MEN1 (0.40) | CYP1A2HSD17B10CYP3A4ALOX15CYP2C19 | |
| SCHEMBL28999380 | 0.79 | HRH4 (0.46) | CYP1A2HSD17B10CYP3A4ALOX15CYP2C19 | |
| SCHEMBL29501387 | 0.78 | MEN1 (0.37) | CYP1A2HSD17B10CYP3A4ALOX15CYP2C19 | |
| SCHEMBL28999535 | 0.78 | MEN1 (0.37) | CYP1A2HSD17B10CYP3A4ALOX15CYP2C19 | |
| SCHEMBL28629361 | 0.77 | MEN1 (0.37) | CYP1A2HSD17B10CYP3A4ALOX15CYP2C19 | |
| SCHEMBL2349988 | 0.76 | CYP1A2 (0.59) | CYP1A2HSD17B10CYP3A4ALOX15CYP2C19 | |
| SCHEMBL21139461 | 0.76 | CYP1A2 (0.56) | CYP1A2HSD17B10CYP3A4ALOX15CYP2C19 |
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-116113626-A | Compound with anti-tumor activity and application thereof | 上海翊石医药科技有限公司 | 2023-05-12 | — | — | CN | disclosed |
| WO-2022048631-A1 | COMPOUND HAVING ANTITUMOR ACTIVITY AND USE THEREOF | 上海翊石医药科技有限公司 | 2022-03-10 | — | — | WO | disclosed |