Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | RAD51 | Q06609 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | LTA | P01374 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | P2RY6 | Q15077 | 2/20 | 0.40 |
| ▸ | RAD1 | O60671 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | PDIA6 | Q15084 | 1/20 | 0.33 |
| ▸ | GLO1 | Q04760 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28839003 | 0.90 | CA2 (0.51) | CA2CA1RAD51ALDH1A1KDM4E | |
| SCHEMBL18245194 | 0.78 | P2RY6 (0.47) | CA2CA1RAD51ALDH1A1KDM4E | |
| SCHEMBL6191290 | 0.77 | CA1 (0.54) | CA2CA1RAD51ALDH1A1KDM4E | |
| SCHEMBL4329471 | 0.74 | P2RY6 (0.43) | CA2CA1RAD51ALDH1A1KDM4E | |
| SCHEMBL6195000 | 0.74 | CA1 (0.50) | CA2CA1RAD51ALDH1A1KDM4E | |
| SCHEMBL11755116 | 0.73 | CA2 (0.42) | CA2CA1ALDH1A1KDM4EUSP2 | |
| SCHEMBL8215092 | 0.73 | CA2 (0.42) | CA2CA1ALDH1A1KDM4ECYP3A4 | |
| SCHEMBL5770945 | 0.73 | MAPK1 (0.50) | CA2CA1CA9PDIA6MAPK1 | |
| SCHEMBL18245391 | 0.71 | GABRA1 (0.50) | CA2CA1RAD51ALDH1A1KDM4E | |
| SCHEMBL6194290 | 0.71 | CA1 (0.50) | CA2CA1RAD51ALDH1A1KDM4E |
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-114890928-B | Isothiocyanate derivative and preparation method and application thereof | 厦门倍博特医学科技有限公司 | 2024-02-23 | — | — | CN | disclosed |
| CN-114890928-A | Isothiocyanate derivative and preparation method and application thereof | 厦门倍博特医学科技有限公司 | 2022-08-12 | — | — | CN | disclosed |