Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.37 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.37 |
| ▸ | SELE | P16581 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL921135 | 0.83 | CA12 (0.41) | KDM4ELMNAKMT2AALDH1A1TP53 | |
| SCHEMBL10888602 | 0.79 | TP53 (0.42) | KDM4ELMNAALDH1A1TP53DDB1 | |
| SCHEMBL28886962 | 0.79 | TSHR (0.41) | KDM4ELMNAKMT2AALDH1A1TP53 | |
| SCHEMBL7463649 | 0.76 | ICAM1 (0.39) | KDM4ELMNAKMT2AALDH1A1TP53 | |
| SCHEMBL5496033 | 0.76 | ALDH1A1 (0.40) | KDM4ELMNAKMT2AALDH1A1TP53 | |
| SCHEMBL6948291 | 0.73 | HCAR2 (0.41) | KDM4ELMNAKMT2AALDH1A1TP53 | |
| SCHEMBL6948288 | 0.73 | HCAR2 (0.41) | KDM4ELMNAKMT2AALDH1A1TP53 | |
| SCHEMBL7413304 | 0.73 | KDM4E (0.42) | KDM4ELMNAKMT2AALDH1A1TP53 | |
| SCHEMBL5163981 | 0.72 | LMNA (0.44) | KDM4ELMNAKMT2AALDH1A1TP53 | |
| SCHEMBL2968803 | 0.72 | MAP2K7 (0.43) | KDM4EKMT2AALDH1A1TSHRCYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1170295-B1 | Thiocarbonates as flavour precursors | QUEST INT (NL) | 2007-12-19 | — | — | EP | claimed |