Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.56 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.45 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.45 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.45 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.45 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.45 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6177618 | 0.79 | PSEN1 (0.69) | NPSR1FKBP1AGAASMN1; SMN2MAPT | |
| SCHEMBL6177624 | 0.79 | PSEN1 (0.69) | NPSR1FKBP1AGAASMN1; SMN2MAPT | |
| SCHEMBL6177053 | 0.78 | NPSR1 (0.63) | NPSR1GAASMN1; SMN2MAPTLMNA | |
| SCHEMBL6177055 | 0.78 | NPSR1 (0.63) | NPSR1GAASMN1; SMN2MAPTLMNA | |
| SCHEMBL6177061 | 0.78 | NPSR1 (0.63) | NPSR1GAASMN1; SMN2MAPTLMNA | |
| SCHEMBL13941964 | 0.77 | NPSR1 (0.62) | NPSR1FKBP1AGAASMN1; SMN2MAPT | |
| SCHEMBL13941966 | 0.77 | NPSR1 (0.62) | NPSR1FKBP1AGAASMN1; SMN2MAPT | |
| SCHEMBL6879707 | 0.76 | L3MBTL1 (0.51) | NPSR1FKBP1AGAAMAPTALDH1A1 | |
| SCHEMBL10904190 | 0.76 | L3MBTL1 (0.51) | NPSR1FKBP1AGAAMAPTALDH1A1 | |
| SCHEMBL9042461 | 0.76 | L3MBTL1 (0.51) | NPSR1FKBP1AGAAMAPTALDH1A1 |
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-105209436-B | 3-piperidone compounds and their use as neurokinin-1 (NK1) receptor antagonists | 南洋理工大学 | 2019-02-01 | — | — | CN | disclosed |
| CN-105209436-A | 3-piperidone compounds and their use as neurokinin-1 (NK1) receptor antagonists | UNIV NANYANG TECH | 2015-12-30 | — | — | CN | disclosed |