Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 3/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | AGXT | P21549 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | PTPRC | P08575 | 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 | |
|---|---|---|---|---|
| SCHEMBL27915346 | 0.81 | TAAR1 (0.43) | CA12CA2CA9IDO1TAAR1 | |
| SCHEMBL30397064 | 0.80 | MEN1 (0.53) | MEN1KMT2AALDH1A1MAPTHPGD | |
| SCHEMBL29007581 | 0.79 | MEN1 (0.47) | MEN1KMT2AALDH1A1MAPTHPGD | |
| SCHEMBL30396376 | 0.79 | MEN1 (0.47) | MEN1KMT2AALDH1A1MAPTHPGD | |
| SCHEMBL9055148 | 0.79 | MAPT (0.52) | MEN1KMT2AALDH1A1MAPTHPGD | |
| SCHEMBL13750887 | 0.79 | TACR1 (0.40) | MEN1KMT2AALDH1A1MAPTHPGD | |
| SCHEMBL29007598 | 0.76 | NR1H2 (0.50) | MEN1KMT2AALDH1A1MAPTHPGD | |
| SCHEMBL2672578 | 0.75 | HSD17B10 (0.45) | ALDH1A1MAPTIDO1TAAR1AGXT | |
| SCHEMBL28010730 | 0.72 | GSK3B (0.59) | ALDH1A1MAPTIDO1TDO2GAA | |
| SCHEMBL86112 | 0.71 | KMT2A (0.48) | MEN1KMT2AALDH1A1MAPTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-116162076-B | Spirocyclic gamma-butyrolactone containing carboxylic acid tert-butyl ester and 1, 3-indene diketone structure and preparation method thereof | 南京工业大学 | 2024-03-29 | — | — | CN | disclosed |
| CN-116162076-A | Spirocyclic gamma-butyrolactone containing carboxylic acid tert-butyl ester and 1, 3-indene diketone structure and preparation method thereof | 南京工业大学 | 2023-05-26 | — | — | CN | disclosed |