Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | CDC25B | P30305 | 3/20 | 0.50 |
| ▸ | CDC25A | P30304 | 1/20 | 0.47 |
| ▸ | CDC25C | P30307 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PRNP | P04156 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Phenanthrene SCHEMBL28332300 | 0.84 | ALDH1A1 (0.54) | ALDH1A1HPGDCDC25BCDC25ACDC25C | |
| Ethyl Acetate SCHEMBL27610053 | 0.84 | ALDH1A1 (0.58) | ALDH1A1LMNAHSD17B10KDM4EKMT2A | |
| SCHEMBL29016506 | 0.83 | RXFP1 (0.42) | ALDH1A1HPGDHSD17B10KDM4EKMT2A | |
| Acetic Acid Methyl Ester SCHEMBL27386370 | 0.83 | RXFP1 (0.46) | ALDH1A1HPGDHSD17B10KDM4EKMT2A | |
| Acetone SCHEMBL28388268 | 0.82 | RXFP1 (0.47) | ALDH1A1HPGDKDM4EKMT2APRNP | |
| Ethyl Acetate SCHEMBL29093101 | 0.81 | LMNA (0.42) | ALDH1A1HPGDCDC25BCDC25ACDC25C | |
| Acetic Acid SCHEMBL27521004 | 0.81 | NR4A1 (0.50) | ALDH1A1HPGDCDC25BHSD17B10KDM4E | |
| Naphthalene SCHEMBL27267438 | 0.80 | ALDH1A1 (0.64) | ALDH1A1HPGDCDC25BLMNAHSD17B10 | |
| Ethyl Acetate SCHEMBL27683796 | 0.79 | CDYL (0.51) | ALDH1A1HPGDCDC25BCDC25ACDC25C | |
| Naphthalene SCHEMBL27558954 | 0.79 | ALDH1A1 (0.61) | ALDH1A1HPGDCDC25BLMNAHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103539760-B | (phenoxy) phenylacetic acid class endothelin antagonist and preparation method thereof and application | SOUTHEAST UNIVERSITY (CN) | 2016-04-13 | — | — | CN | disclosed |
| CN-103539760-A | Phenoxy phenylacetic acid endothelin antagonist, and preparation method and application thereof | UNIV SOUTHEAST | 2014-01-29 | — | — | CN | disclosed |