Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.41 |
| ▸ | YAP1 | P46937 | 1/20 | 0.41 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.41 |
| ▸ | TEAD2 | Q15562 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | SDCBP | O00560 | 2/20 | 0.40 |
| ▸ | SDC2 | P34741 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 3/20 | 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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL11273023 | 0.79 | KDM4E (0.48) | KDM4ECYP1A2CYP2C19CYP2D6HPGD | |
| Fumaric Acid SCHEMBL11273031 | 0.79 | KDM4E (0.48) | KDM4ECYP1A2CYP2C19CYP2D6HPGD | |
| Fumaric Acid SCHEMBL11267121 | 0.75 | TSHR (0.45) | KDM4ECYP1A2CYP2C19CYP2D6HPGD | |
| Fumaric Acid SCHEMBL11267111 | 0.75 | TSHR (0.45) | KDM4ECYP1A2CYP2C19CYP2D6HPGD | |
| SCHEMBL11266712 | 0.74 | HDAC3 (0.41) | KDM4ECYP1A2CYP2C19CYP2D6HPGD | |
| SCHEMBL11274969 | 0.74 | RAB9A (0.47) | KDM4ECYP1A2CYP2C19CYP2D6HPGD | |
| SCHEMBL11269043 | 0.74 | HDAC3 (0.41) | KDM4ECYP1A2CYP2C19CYP2D6HPGD | |
| Fumaric Acid SCHEMBL11261365 | 0.72 | SDCBP (0.46) | KDM4ECYP1A2CYP2C19CYP2D6HPGD | |
| Fumaric Acid SCHEMBL11261354 | 0.72 | SDCBP (0.46) | KDM4ECYP1A2CYP2C19CYP2D6HPGD | |
| Fumaric Acid SCHEMBL11130146 | 0.72 | SDCBP (0.46) | KDM4ECYP1A2CYP2C19CYP2D6HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0053015-A1 | 1-Phenylthio-2-aminopropane derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1982-06-02 | — | — | EP | disclosed |