Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 5/20 | 0.37 |
| ▸ | CA2 | P00918 | 5/20 | 0.37 |
| ▸ | CA9 | Q16790 | 4/20 | 0.37 |
| ▸ | CA6 | P23280 | 3/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA5A | P35218 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PTGES2 | Q9H7Z7 | 3/20 | 0.33 |
| ▸ | CA4 | P22748 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | GBA1 | P04062 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7543609 | 0.82 | LMNA (0.46) | ALDH1A1CA1CA2CA9CA6 | |
| SCHEMBL7525621 | 0.81 | CYP1A2 (0.44) | ALDH1A1CA1CA2CA9CA6 | |
| SCHEMBL11539283 | 0.79 | MEN1 (0.40) | ALDH1A1CA1CA2CA9CA5A | |
| SCHEMBL1427884 | 0.79 | CA1 (0.48) | CA1CA2CA9CA6CA12 | |
| SCHEMBL1142906 | 0.78 | CA2 (0.50) | ALDH1A1CA1CA2CA9CA6 | |
| SCHEMBL1396538 | 0.77 | ALDH1A1 (0.44) | ALDH1A1CA1CA2CA9CA6 | |
| SCHEMBL29175489 | 0.76 | CA2 (0.48) | ALDH1A1CA1CA2CA9CA6 | |
| SCHEMBL8748210 | 0.76 | ALDH1A1 (0.40) | ALDH1A1CA1CA2CA9CA6 | |
| SCHEMBL29026004 | 0.76 | CA2 (0.48) | ALDH1A1CA1CA2CA9CA6 | |
| SCHEMBL10594900 | 0.75 | ALDH1A1 (0.43) | ALDH1A1CA1CA2CA9CA6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0185387-A1 | Novel, N,N'bis(sulfonyl) hydrazines having antineoplastic activity | YALE UNIVERSITY (US) | 1986-06-25 | — | — | EP | disclosed |