Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 6/20 | 0.42 |
| ▸ | MAOA | P21397 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TYMS | P04818 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL724064 | 0.88 | MAOA (0.52) | MAOBMAOACYP1A2KDM4EALDH1A1 | |
| SCHEMBL29736194 | 0.82 | MAOA (0.54) | MAOBMAOACYP1A2KDM4EALDH1A1 | |
| SCHEMBL28603304 | 0.70 | MAOA (0.68) | MAOBMAOACYP1A2KDM4EALDH1A1 | |
| SCHEMBL29072819 | 0.70 | CYP1A2 (0.48) | MAOBMAOATSHRCYP1A2KDM4E | |
| SCHEMBL29467263 | 0.70 | MAOA (0.50) | MAOBMAOATSHRCYP1A2KDM4E | |
| SCHEMBL29477917 | 0.68 | MAOA (0.48) | MAOBMAOATSHRCYP1A2KDM4E | |
| SCHEMBL6136225 | 0.68 | CYP1A2 (0.57) | MAOBMAOACYP1A2CYP2A6 | |
| SCHEMBL11205483 | 0.68 | MAOA (0.58) | MAOBMAOATSHRCYP1A2KDM4E | |
| SCHEMBL13760592 | 0.68 | ALDH1A1 (0.42) | MAOBMAOAALDH1A1 | |
| SCHEMBL18589786 | 0.68 | ALDH1A1 (0.42) | MAOBMAOAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1506184-A2 | PROCESS FOR THE PREPARATION OF 3-ISOCHROMANONE | Syngenta Limited (GB) | 2005-02-16 | — | — | EP | disclosed |
| WO-2003095442-A2 | PROCESS FOR THE PREPARATION OF 3-ISOCHROMANONE | SYNGENTA LIMITED (GB) | 2003-11-20 | — | — | WO | disclosed |