Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 4/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9228226 | 0.80 | TAAR1 (0.51) | ABCB1L3MBTL1CHRM2CHRM1CHRM3 | |
| SCHEMBL9694621 | 0.76 | CA1 (0.43) | NPSR1L3MBTL1POLBHTTCHRM2 | |
| SCHEMBL6557136 | 0.74 | POLB (0.41) | NPSR1L3MBTL1POLBHTTCHRM2 | |
| SCHEMBL28070366 | 0.74 | POLB (0.41) | NPSR1L3MBTL1POLBHTTCHRM2 | |
| SCHEMBL28846739 | 0.74 | CA1 (0.42) | NPSR1L3MBTL1POLBHTTCHRM2 | |
| SCHEMBL27919782 | 0.73 | ALDH1A1 (0.40) | TACR1IDH1NPSR1L3MBTL1POLB | |
| SCHEMBL28878316 | 0.70 | TAAR1 (0.42) | TACR1IDH1NPSR1L3MBTL1POLB | |
| SCHEMBL8506771 | 0.70 | CCNB2 (0.49) | L3MBTL1CYP2C19MAPTMAPK1HTR1A | |
| SCHEMBL28187870 | 0.70 | HTT (0.47) | HTTCYP2D6CYP2C19NFE2L2MAPK1 | |
| SCHEMBL15331984 | 0.68 | CA1 (0.50) | NPSR1L3MBTL1POLBHTTCHRM2 |
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 |