Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.49 |
| ▸ | CES1 | P23141 | 2/20 | 0.49 |
| ▸ | NAAA | Q02083 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Heptane SCHEMBL2077664 | 0.92 | CES2 (0.52) | CES2CES1NAAAL3MBTL1EPHX1 | |
| Toluene SCHEMBL2357321 | 0.90 | CES2 (0.50) | CES2CES1NAAAL3MBTL1EPHX1 | |
| Toluene SCHEMBL1201404 | 0.90 | CES2 (0.50) | CES2CES1NAAAL3MBTL1EPHX1 | |
| Toluene SCHEMBL9639878 | 0.89 | LMNA (0.55) | CES2CES1L3MBTL1ALDH1A1TSHR | |
| Toluene SCHEMBL170599 | 0.89 | LMNA (0.55) | CES2CES1L3MBTL1ALDH1A1TSHR | |
| Toluene SCHEMBL9640429 | 0.89 | LMNA (0.55) | CES2CES1L3MBTL1ALDH1A1TSHR | |
| Toluene SCHEMBL11241972 | 0.89 | LMNA (0.55) | CES2CES1L3MBTL1ALDH1A1TSHR | |
| Toluene SCHEMBL598823 | 0.89 | ALDH1A1 (0.41) | CES2CES1NAAAL3MBTL1ALDH1A1 | |
| Toluene SCHEMBL8853666 | 0.88 | CES2 (0.48) | CES2CES1NAAAL3MBTL1EPHX1 | |
| Toluene SCHEMBL10621122 | 0.87 | LMNA (0.52) | CES2CES1L3MBTL1ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5002933-A | Antiulcer agents from tyrosine, alanine, glycine, phenylalanine, leucine and glutamic acid | VINOGRADOV VALENTIN A (SU) | 1991-03-26 | — | — | US | disclosed |