Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CCL2 | P13500 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21857988 | 0.89 | CA2 (0.35) | KDM4EALDH1A1ALOX5GAAMAPT | |
| SCHEMBL7182926 | 0.88 | CA1 (0.32) | CA2CA1 | |
| SCHEMBL28744237 | 0.88 | BCHE (0.38) | KDM4EALDH1A1ALOX5GAAMAPT | |
| SCHEMBL21857995 | 0.86 | BCHE (0.40) | KDM4EALDH1A1ALOX5GAAMAPT | |
| SCHEMBL23702732 | 0.85 | NAMPT (0.32) | CA2PDK2CA12CA1CA4 | |
| SCHEMBL29790943 | 0.85 | NAMPT (0.32) | CA2PDK2CA12CA1CA4 | |
| SCHEMBL6914459 | 0.81 | CNR1 (0.40) | ALOX5CA2PDK2 | |
| SCHEMBL7193247 | 0.80 | CA2 (0.33) | KDM4EGAAMAPTCA2CA1 | |
| SCHEMBL6913089 | 0.79 | SKP2 (0.42) | KDM4EALDH1A1CA2CA1 | |
| SCHEMBL15796692 | 0.77 | — | — |
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-2020081695-A1 | INDANE DERIVATIVES AS HYPOXIA INDUCIBLE FACTOR-2(ALPHA) INHIBITORS | NIKANG THERAPEUTICS, INC. (US) | 2020-04-23 | — | — | WO | disclosed |