Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 9/20 | 0.55 |
| ▸ | CA12 | O43570 | 8/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | CA9 | Q16790 | 7/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8821790 | 1.00 | CA2 (0.55) | CA2CA12KDM4ECA9ALDH1A1 | |
| SCHEMBL19891583 | 0.93 | CA2 (0.58) | CA2CA12KDM4ECA9ALDH1A1 | |
| SCHEMBL14354255 | 0.91 | CA2 (0.59) | CA2CA12KDM4ECA9ALDH1A1 | |
| SCHEMBL14354257 | 0.91 | CA2 (0.59) | CA2CA12KDM4ECA9ALDH1A1 | |
| SCHEMBL14666848 | 0.80 | CA2 (0.59) | CA2CA12KDM4ECA9ALDH1A1 | |
| SCHEMBL2774494 | 0.80 | MAPT (0.55) | KDM4ECA9ALDH1A1GAAMAOB | |
| SCHEMBL30241961 | 0.80 | CA2 (0.59) | CA2CA12KDM4ECA9ALDH1A1 | |
| SCHEMBL10710069 | 0.80 | MAPT (0.55) | KDM4ECA9ALDH1A1GAAMAOB | |
| SCHEMBL2774496 | 0.80 | MAPT (0.55) | KDM4ECA9ALDH1A1GAAMAOB | |
| SCHEMBL18651817 | 0.79 | MAOB (0.45) | CA2CA12KDM4ECA9ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997044313-A1 | N,N'-Di(2-HYDROXYBENZYL)ETHYLENEDIAMINE-N,N'-DIACETIC ACID DERIVATIVES | NOVARTIS AG (CH) | 1997-11-27 | — | — | WO | disclosed |