Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8703407 | 0.86 | HRH3 (0.39) | ALDH1A1CYP2D6CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL8698602 | 0.81 | HRH3 (0.38) | ALDH1A1HRH3KDM4EMAPTHTT | |
| SCHEMBL8702811 | 0.80 | HRH3 (0.40) | ALDH1A1CYP2D6CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL9032268 | 0.80 | HRH3 (0.46) | ALDH1A1SMN1; SMN2GAAHRH3KDM4E | |
| SCHEMBL8697846 | 0.78 | OPRK1 (0.44) | CYP3A4SMN1; SMN2HRH3LMNATSHR | |
| SCHEMBL9034272 | 0.75 | ATM (0.45) | ALDH1A1CYP3A4SMN1; SMN2HRH3LMNA | |
| SCHEMBL9032737 | 0.75 | CTSL (0.44) | CYP2D6CYP2C9CYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL8701081 | 0.74 | SIGMAR1 (0.38) | ALDH1A1SMN1; SMN2HRH3MEN1KMT2A | |
| SCHEMBL9031818 | 0.74 | CTSL (0.44) | CYP2D6CYP2C9CYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL9033877 | 0.74 | SMN1; SMN2 (0.44) | ALDH1A1CYP2D6CYP2C9SMN1; SMN2MEN1 |
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-1121713-A | serine derivatives | YAMANOUCHI PHARMA CO LTD (JP) | 1996-05-01 | — | — | CN | disclosed |
| EP-0696586-A1 | SERINE DERIVATIVE | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1996-02-14 | — | — | EP | disclosed |