Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 6/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | S100A4 | P26447 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9055148 | 0.84 | MAPT (0.52) | MAOBMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL24270335 | 0.81 | MAOB (0.47) | RAB9AMAOBMEN1KMT2AALDH1A1 | |
| SCHEMBL30397064 | 0.81 | MEN1 (0.53) | MEN1KMT2AALDH1A1MAPTHPGD | |
| SCHEMBL29007584 | 0.81 | GAA (0.46) | MEN1KMT2AALDH1A1MAPTHPGD | |
| SCHEMBL29007581 | 0.80 | MEN1 (0.47) | MEN1KMT2AALDH1A1MAPTHPGD | |
| SCHEMBL30396376 | 0.80 | MEN1 (0.47) | MEN1KMT2AALDH1A1MAPTHPGD | |
| SCHEMBL28801710 | 0.78 | HTR2A (0.47) | RAB9AMAOBMEN1KMT2AALDH1A1 | |
| SCHEMBL18328075 | 0.78 | MEN1 (0.44) | RAB9AMAOBMEN1KMT2AALDH1A1 | |
| SCHEMBL8604885 | 0.74 | CYP3A4 (0.45) | MAOBMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL8900502 | 0.74 | MDM2 (0.44) | MAOBMEN1KMT2AALDH1A1CES2 |
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 |