Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | DDR2 | Q16832 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28887664 | 0.86 | RET (0.41) | ALDH1A1TSHRTDP1KDM4ECA1 | |
| SCHEMBL28959066 | 0.83 | ABCG2 (0.48) | CYP3A4ALDH1A1TDP1ABCG2KDM4E | |
| SCHEMBL17616678 | 0.77 | ALDH1A1 (0.46) | CYP3A4ALDH1A1CYP2C19CYP2C9TSHR | |
| SCHEMBL29839908 | 0.76 | ABCG2 (0.54) | CYP3A4ALDH1A1CYP2C19CYP2C9TSHR | |
| SCHEMBL2620726 | 0.76 | ABCG2 (0.54) | CYP3A4ALDH1A1CYP2C19CYP2C9TSHR | |
| SCHEMBL28959074 | 0.75 | KDM4E (0.41) | CYP3A4ALDH1A1TSHRTDP1KDM4E | |
| SCHEMBL10929274 | 0.74 | ABCG2 (0.49) | CYP3A4ALDH1A1CYP2C19CYP2C9TSHR | |
| SCHEMBL28887688 | 0.74 | KDM4E (0.42) | ALDH1A1TSHRTDP1KDM4EMAPK1 | |
| SCHEMBL4348132 | 0.74 | NQO2 (0.48) | CYP3A4ALDH1A1CYP2C19CYP2C9TSHR | |
| SCHEMBL29839946 | 0.72 | MCL1 (0.53) | CYP3A4ALDH1A1CYP2C19CYP2C9TSHR |
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-110372660-B | Synthetic method of isocoumarin derivatives | 天津大学 | 2022-11-22 | — | — | CN | disclosed |