Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.45 |
| ▸ | DRD4 | P21917 | 3/20 | 0.45 |
| ▸ | DRD3 | P35462 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | F10 | P00742 | 1/20 | 0.41 |
| ▸ | HPN | P05981 | 1/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.41 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.41 |
| ▸ | HGFAC | Q04756 | 1/20 | 0.41 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.41 |
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.40 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28249019 | 0.79 | RECQL (0.55) | DRD2DRD4DRD3ALDH1A1KMT2A | |
| SCHEMBL28249025 | 0.78 | ALDH1A1 (0.43) | DRD2DRD4DRD3ALDH1A1KMT2A | |
| SCHEMBL28249742 | 0.77 | EPHX2 (0.56) | DRD2DRD4DRD3ALDH1A1KMT2A | |
| SCHEMBL28249714 | 0.71 | EPHX1 (0.50) | ALDH1A1KMT2ASMN1; SMN2SMYD3POLB | |
| SCHEMBL12487367 | 0.69 | RAB9A (0.59) | ALDH1A1KMT2APOLBTDP1 | |
| SCHEMBL6192045 | 0.68 | RAB9A (0.62) | ALDH1A1KMT2APOLB | |
| SCHEMBL11251072 | 0.66 | SLC6A4 (0.55) | ALDH1A1POLBSIGMAR1 | |
| SCHEMBL5321539 | 0.65 | ALDH1A1 (0.58) | ALDH1A1KMT2AHTTSMN1; SMN2POLB | |
| SCHEMBL5322283 | 0.63 | MAOB (0.55) | ALDH1A1KMT2ASMN1; SMN2POLBSIGMAR1 | |
| SCHEMBL18704573 | 0.63 | L3MBTL1 (0.70) | KMT2ASMN1; SMN2TP53 |
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-108658897-A | Acetobenzylamide piperazine（Pyridine）Analog derivative and its application as neuroprotection agent | 上海医药工业研究院 | 2018-10-16 | — | — | CN | claimed |