Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | SGMS2 | Q8NHU3 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | IDH1 | O75874 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27916171 | 0.84 | SGMS2 (0.49) | ALDH1A1ESR1ESR2SGMS2KDM4E | |
| SCHEMBL9229299 | 0.80 | TAAR1 (0.51) | ALDH1A1SGMS2KDM4ECYP2C19LMNA | |
| SCHEMBL27919783 | 0.73 | TACR1 (0.39) | CYP2C19L3MBTL1POLBHTTNPSR1 | |
| SCHEMBL9450168 | 0.72 | SYK (0.43) | ALDH1A1SGMS2KDM4EL3MBTL1 | |
| SCHEMBL30366298 | 0.72 | ESR2 (0.43) | ALDH1A1ESR1ESR2CYP2C19LMNA | |
| SCHEMBL28618652 | 0.70 | ESR2 (0.46) | ALDH1A1ESR1ESR2CYP2C19CYP1A2 | |
| SCHEMBL18284609 | 0.70 | PPARG (0.40) | ALDH1A1SGMS2KDM4EL3MBTL1POLB | |
| SCHEMBL21632015 | 0.70 | L3MBTL1 (0.55) | ALDH1A1SGMS2KDM4ELMNAL3MBTL1 | |
| SCHEMBL10399399 | 0.70 | TP53 (0.40) | ALDH1A1KDM4ECYP2C19LMNAL3MBTL1 | |
| SCHEMBL21632162 | 0.69 | POLB (0.50) | ALDH1A1SGMS2KDM4ELMNAL3MBTL1 |
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-103339095-A | Alkyne and alkene derivatives as sphingosine 1-phosphate-1 receptor modulators | ALLERGAN INC | 2013-10-02 | — | — | CN | disclosed |