Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CTSV | O60911 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL28923834 | 0.96 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2HTTMAPTCYP3A4 | |
| SCHEMBL28288790 | 0.79 | KDM4E (0.41) | ALDH1A1MAPTTDP1SLC6A3KMT2A | |
| SCHEMBL28923701 | 0.79 | PARP1 (0.42) | KMT2A | |
| SCHEMBL28060648 | 0.79 | HSP90AA1 (0.42) | ALDH1A1SMN1; SMN2HSP90AA1SLC6A3KMT2A | |
| SCHEMBL28397099 | 0.78 | ERN1 (0.46) | ALDH1A1SMN1; SMN2HTTMAPTTDP1 | |
| SCHEMBL28255849 | 0.78 | HTT (0.53) | ALDH1A1SMN1; SMN2HTTMAPTCYP3A4 | |
| SCHEMBL27470794 | 0.76 | HSD17B10 (0.47) | ALDH1A1SMN1; SMN2HTTMAPTTDP1 | |
| SCHEMBL11589948 | 0.76 | HSP90AA1 (0.61) | ALDH1A1SMN1; SMN2HTTMAPTTDP1 | |
| SCHEMBL28288776 | 0.75 | LIPG (0.45) | ALDH1A1KMT2A | |
| SCHEMBL11613339 | 0.74 | HSP90AA1 (0.40) | ALDH1A1SMN1; SMN2CYP3A4HSP90AA1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109678815-B | N-benzyl benzamide derivative and preparation method and pharmaceutical application thereof | 中国药科大学 | 2022-11-29 | — | — | CN | disclosed |
| CN-109678815-A | N- benzyl benzamide derivatives and preparation method thereof and pharmaceutical applications | 中国药科大学 | 2019-04-26 | — | — | CN | disclosed |
| CN-104211635-A | Piperidine compounds, and preparation method, pharmaceutical compositions and use thereof | SHANGHAI INST MATERIA MEDICA | 2014-12-17 | — | — | CN | disclosed |