Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 2/20 | 0.37 |
| ▸ | RXRB | P28702 | 2/20 | 0.37 |
| ▸ | RXRG | P48443 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.35 |
| ▸ | CFD | P00746 | 1/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL932909 | 0.81 | ALDH1A1 (0.50) | CYP3A4ALDH1A1CA2KDM4EGAA | |
| SCHEMBL20017268 | 0.77 | KDM4E (0.40) | CYP3A4ALDH1A1CA2PTGDR2KDM4E | |
| SCHEMBL931514 | 0.76 | ALDH1A1 (0.51) | CYP3A4ALDH1A1CA2KDM4EMAPK1 | |
| SCHEMBL14274976 | 0.76 | ALDH1A1 (0.56) | CYP3A4ALDH1A1RXRARXRB | |
| SCHEMBL8839378 | 0.75 | RARA (0.48) | ALDH1A1RXRARXRBRXRGKDM4E | |
| SCHEMBL6481775 | 0.72 | ALDH1A1 (0.56) | CYP3A4ALDH1A1CA2KDM4EGAA | |
| SCHEMBL17253651 | 0.72 | CYP3A4 (0.53) | CYP3A4ALDH1A1CA2KDM4EGAA | |
| SCHEMBL13434033 | 0.72 | CYP3A4 (0.49) | CYP3A4ALDH1A1CA2MAPK1SMN1; SMN2 | |
| SCHEMBL132773 | 0.72 | ALDH1A1 (0.78) | CYP3A4ALDH1A1CA2KDM4EMAPK1 | |
| SCHEMBL2092731 | 0.72 | ALDH1A1 (0.60) | CYP3A4ALDH1A1RXRARXRBSMN1; SMN2 |
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-2011005735-A1 | GREEN AND ATOM-ECONOMICAL PROCESSES FOR PRODUCING PHENOLIC ANTIOXIDANTS | ALBEMARLE CORPORATION (US) | 2011-01-13 | — | — | WO | disclosed |