Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.44 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 2/20 | 0.36 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.35 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.35 |
| ▸ | RARB | P10826 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 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 | |
|---|---|---|---|---|
| SCHEMBL8567015 | 0.96 | CA1 (0.46) | CA12CA1CA2CA9CA14 | |
| SCHEMBL3126755 | 0.90 | CA1 (0.48) | CA12CA1CA2CA9CA14 | |
| SCHEMBL6488581 | 0.86 | PLA2G4B (0.45) | CA12CA1CA2CA9CA14 | |
| SCHEMBL8732251 | 0.85 | CYP4A11 (0.63) | CA12CA1CA2CA9CA14 | |
| SCHEMBL1794739 | 0.83 | CYP4A11 (0.61) | CA12CA1CA2CA9CA14 | |
| SCHEMBL22084667 | 0.82 | PSMD10 (0.47) | CA12CA1CA2CA9CA14 | |
| SCHEMBL22964323 | 0.82 | CYP4A11 (0.51) | CA12CA1CA2CA9CA14 | |
| SCHEMBL23074190 | 0.81 | CA2 (0.50) | CA12CA1CA2CA9CA14 | |
| SCHEMBL6489468 | 0.81 | PPARG (0.47) | PPARG | |
| SCHEMBL14415230 | 0.81 | SLC7A5 (0.51) | CA12CA1CA2CA9CA14 |
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 |
|---|---|---|---|---|---|---|---|
| US-5081245-A | Selective antitumor agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-01-14 | — | — | US | disclosed |
| EP-0356765-A2 | Carboxylic acid derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1990-03-07 | — | — | EP | disclosed |