Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | CTSL | P07711 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL28540144 | 0.89 | SLC6A3 (0.40) | MAPTALDH1A1KMT2AMEN1SLC6A2 | |
| SCHEMBL28540942 | 0.86 | SMN1; SMN2 (0.43) | MAPTALDH1A1KMT2AMEN1EPHX2 | |
| SCHEMBL28534011 | 0.86 | MAPT (0.41) | MAPTALDH1A1KMT2AMEN1SLC6A2 | |
| SCHEMBL28529983 | 0.86 | MEN1 (0.47) | MAPTALDH1A1KMT2AMEN1CASP3 | |
| SCHEMBL28271094 | 0.86 | ADRB2 (0.40) | MAPTALDH1A1KMT2AMEN1SLC6A2 | |
| SCHEMBL28271133 | 0.85 | SLC2A1 (0.44) | MAPTALDH1A1KMT2AMEN1EPHX2 | |
| SCHEMBL28534039 | 0.79 | SLC6A2 (0.43) | MAPTALDH1A1SLC6A2SLC6A3ADRB2 | |
| SCHEMBL28540410 | 0.78 | KDM4E (0.40) | ALDH1A1KMT2AMEN1SLC6A2SLC6A3 | |
| SCHEMBL28271090 | 0.77 | HTT (0.34) | MAPTALDH1A1KMT2AMEN1ADRB2 | |
| SCHEMBL28909639 | 0.77 | SLC6A2 (0.46) | MAPTALDH1A1KMT2AMEN1TRPV1 |
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-109232316-B | Synthetic method of alpha-tertiary nitrile structure beta-dicarbonyl compound | 昆明学院 | 2021-03-26 | — | — | CN | claimed |
| CN-109232316-A | A kind of α-three-level nitrile structure beta-dicarbonyl compound synthetic method | 昆明学院 | 2019-01-18 | — | — | CN | claimed |