Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | PPM1B | O75688 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | TET2 | Q6N021 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8530129 | 0.89 | ALDH1A1 (0.36) | CYP1A2ALDH1A1PKMCYP2C19NFKB1 | |
| SCHEMBL631270 | 0.77 | ALDH1A1 (0.56) | CYP1A2ALDH1A1PKMCYP2C19KDM4E | |
| SCHEMBL1333228 | 0.77 | ALDH1A1 (0.56) | CYP1A2ALDH1A1PKMCYP2C19KDM4E | |
| SCHEMBL8510385 | 0.77 | CYP1A2 (0.38) | CYP1A2ALDH1A1PKMCYP2C19KDM4E | |
| Ethylene Glycol SCHEMBL29002151 | 0.73 | ALDH1A1 (0.51) | CYP1A2ALDH1A1PKMCYP2C19KDM4E | |
| SCHEMBL26623694 | 0.73 | ALDH1A1 (0.35) | CYP1A2ALDH1A1PKMCYP2C19KDM4E | |
| SCHEMBL1081993 | 0.72 | PTGS1 (0.38) | CYP1A2ALDH1A1PKMCYP2C19KDM4E | |
| SCHEMBL29000169 | 0.70 | KMT2A (0.50) | CYP1A2ALDH1A1PKMCYP2C19KDM4E | |
| SCHEMBL17442873 | 0.70 | ALDH1A1 (0.33) | CYP1A2ALDH1A1PKMCYP2C19KDM4E | |
| SCHEMBL14674752 | 0.70 | ALDH1A1 (0.50) | CYP1A2ALDH1A1PKMCYP2C19KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-20100240137-A1 | DERIVATIZATION-ENHANCED ANALYSIS OF AMINO ACIDS AND PEPTIDES | PURDUE RESEARCH FOUNDATION (US) | 2010-09-23 | — | — | US | disclosed |
| US-20080050827-A1 | Derivatization-enhanced analysis of amino acids and peptides | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2008-02-28 | — | — | US | disclosed |