Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 3/20 | 0.44 |
| ▸ | MAOB | P27338 | 3/20 | 0.44 |
| ▸ | PRKDC | P78527 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.40 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28667001 | 0.79 | NPC1 (0.47) | ALDH1A1MAOAMAOBHPGDCYP1A2 | |
| SCHEMBL28025700 | 0.78 | ALDH1A1 (0.51) | HTR2CALDH1A1MAOAMAOBPRKDC | |
| SCHEMBL12914335 | 0.75 | CYP1A2 (0.49) | ALDH1A1CYP2A6MAOAMAOBPRKDC | |
| SCHEMBL30956969 | 0.74 | MAOB (0.62) | HTR2CALDH1A1MAOAMAOBHPGD | |
| SCHEMBL5468830 | 0.74 | MAOB (0.62) | HTR2CALDH1A1MAOAMAOBHPGD | |
| SCHEMBL4347437 | 0.70 | ALDH1A1 (0.49) | ALDH1A1PRKDCHPGDCYP1A2HSD17B10 | |
| SCHEMBL2996863 | 0.70 | CYP2A6 (0.65) | ALDH1A1CYP2A6MAOAMAOBHPGD | |
| SCHEMBL29416646 | 0.69 | CYP2A6 (0.52) | ALDH1A1CYP2A6MAOAMAOBHPGD | |
| SCHEMBL262434 | 0.69 | CYP2A6 (0.52) | ALDH1A1CYP2A6MAOAMAOBHPGD | |
| SCHEMBL2380805 | 0.69 | CYP2A6 (0.52) | ALDH1A1CYP2A6MAOAMAOBHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-113861137-B | Method for synthesizing furan compound by one-step reaction of ketone and alpha chloroketone | 重庆医科大学 | 2023-08-15 | — | — | CN | disclosed |