Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | AKR1B10 | O60218 | 3/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.50 |
| ▸ | CA12 | O43570 | 3/20 | 0.50 |
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA3 | P07451 | 3/20 | 0.50 |
| ▸ | CA4 | P22748 | 3/20 | 0.50 |
| ▸ | CA6 | P23280 | 3/20 | 0.50 |
| ▸ | CA5A | P35218 | 3/20 | 0.50 |
| ▸ | CA7 | P43166 | 3/20 | 0.50 |
| ▸ | CA9 | Q16790 | 3/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2705918 | 1.00 | EGFR (0.51) | EGFRKDM4EALDH1A1HSD17B10AKR1B10 | |
| SCHEMBL10149459 | 0.87 | AKR1C3 (0.52) | EGFRKDM4EALDH1A1HSD17B10AKR1B10 | |
| SCHEMBL10898081 | 0.84 | EGFR (0.56) | EGFRKDM4EALDH1A1HSD17B10AKR1B10 | |
| SCHEMBL10898075 | 0.84 | EGFR (0.56) | EGFRKDM4EALDH1A1HSD17B10AKR1B10 | |
| SCHEMBL24844874 | 0.81 | TTR (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14389635 | 0.81 | KDM4E (0.66) | EGFRKDM4EALDH1A1HSD17B10AKR1B10 | |
| SCHEMBL111230 | 0.80 | KDM4E (0.58) | KDM4EALDH1A1HSD17B10AKR1B10AKR1B1 | |
| SCHEMBL584596 | 0.80 | KDM4E (0.58) | KDM4EALDH1A1HSD17B10AKR1B10AKR1B1 | |
| SCHEMBL22070868 | 0.80 | EGFR (0.51) | EGFRKDM4EALDH1A1HSD17B10AKR1B10 | |
| SCHEMBL11128501 | 0.79 | CYP3A4 (0.46) | KDM4EALDH1A1MAPK1HPGDKMT2A |
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-2012025701-A1 | ALPHA, ALPHA - DI SUBSTITUTED GLYCINE ESTER DERIVATIVES AND THEIR USE AS HDAC INHIBITORS | CHROMA THERAPEUTICS LTD. (GB) | 2012-03-01 | — | — | WO | disclosed |