Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 8/20 | 0.60 |
| ▸ | EGFR | P00533 | 1/20 | 0.56 |
| ▸ | KDR | P35968 | 1/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | LMNA | P02545 | 4/20 | 0.52 |
| ▸ | TP53 | P04637 | 3/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | ACP1 | P24666 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL30390170 | 1.00 | ABCG2 (0.60) | ABCG2EGFRKDRADORA3MAPT | |
| SCHEMBL29007280 | 0.91 | ADORA3 (0.57) | ABCG2ADORA3MAPTLMNATP53 | |
| SCHEMBL29007290 | 0.87 | MAPT (0.59) | ABCG2ADORA3MAPTLMNATP53 | |
| SCHEMBL30542071 | 0.87 | ABCG2 (0.59) | ABCG2ADORA3MAPTTP53CYP1A2 | |
| SCHEMBL30390175 | 0.87 | MAPT (0.59) | ABCG2ADORA3MAPTLMNATP53 | |
| SCHEMBL6001831 | 0.83 | KDR (0.45) | ABCG2EGFRKDRADORA3MAPT | |
| SCHEMBL6001681 | 0.81 | ABCG2 (0.62) | ABCG2MAPTLMNATP53MEN1 | |
| SCHEMBL6001206 | 0.80 | KMT2A (0.54) | MAPTLMNATP53CYP1A2CYP3A4 | |
| SCHEMBL6001423 | 0.80 | ABCG2 (0.64) | ABCG2EGFRKDRMAPTLMNA | |
| SCHEMBL16941497 | 0.78 | HPGD (0.65) | ABCG2MAPTLMNACYP1A2CYP3A4 |
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-115960046-A | Preparation method of 1-amino substituted isoquinoline substances | 温州大学 | 2023-04-14 | — | — | CN | disclosed |