Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 12/20 | 0.45 |
| ▸ | CA1 | P00915 | 9/20 | 0.45 |
| ▸ | CA9 | Q16790 | 7/20 | 0.45 |
| ▸ | CA12 | O43570 | 4/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA6 | P23280 | 1/20 | 0.45 |
| ▸ | CA5A | P35218 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28839075 | 1.00 | MIF (0.48) | MIFCA2CA1CA9CA12 | |
| SCHEMBL28839002 | 0.85 | MIF (0.58) | MIFCA2CA1CA9CA12 | |
| SCHEMBL29836806 | 0.83 | CA2 (0.57) | MIFCA2CA1CA9CA12 | |
| SCHEMBL28839049 | 0.83 | CA2 (0.57) | MIFCA2CA1CA9CA12 | |
| SCHEMBL28839078 | 0.83 | MIF (0.48) | MIFCA2CA1CA9CA12 | |
| SCHEMBL29836785 | 0.83 | MIF (0.48) | MIFCA2CA1CA9CA12 | |
| SCHEMBL1805835 | 0.77 | CA2 (0.55) | CA2CA1CA9CA12CA4 | |
| SCHEMBL12867054 | 0.75 | MIF (0.70) | MIFCA2CA1CA9CA12 | |
| SCHEMBL14037742 | 0.75 | CA2 (0.53) | CA2CA1CA9CA12CA4 | |
| SCHEMBL1805837 | 0.75 | CA2 (0.54) | CA2CA1CA9CA12CA4 |
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 |