Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSPO | P30536 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.41 |
| ▸ | KDM5A | P29375 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 6/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PTGES | O14684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10157569 | 0.85 | GABRP (0.46) | TSPOALDH1A1MAPTHPGDPDK1 | |
| SCHEMBL25920400 | 0.82 | RAB9A (0.53) | TSPOALDH1A1MAPTHPGDCHRM2 | |
| SCHEMBL3336342 | 0.82 | GAA (0.50) | ALDH1A1MAPTHPGDPDK1CHRM2 | |
| SCHEMBL10157007 | 0.80 | TSHR (0.40) | TSPOALDH1A1MAPTHPGDPDK1 | |
| SCHEMBL25920677 | 0.79 | CNR2 (0.52) | TSPOALDH1A1MAPTHPGDCHRM2 | |
| SCHEMBL14944354 | 0.79 | JMJD6 (0.41) | TSPOALDH1A1MAPTHPGDPDK1 | |
| SCHEMBL25920399 | 0.77 | CHRM2 (0.43) | ALDH1A1MAPTHPGDPDK1CHRM2 | |
| SCHEMBL3084308 | 0.74 | ALDH1A1 (0.50) | ALDH1A1MAPTHPGDCHRM2CHRM1 | |
| SCHEMBL19512871 | 0.74 | RAB9A (0.48) | TSPOALDH1A1MAPTGAANPC1 | |
| SCHEMBL3331879 | 0.74 | GAA (0.61) | ALDH1A1MAPTPDK1CHRM2CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012052390-A1 | N-2-(2-PYRIDINYL)-4-PYRIMIDINYL-BETA-ALANINE DERIVATIVES AS INHIBITORS OF HISTONE DEMETHYLASE JMJD3 | GLAXO GROUP LIMITED (GB) | 2012-04-26 | — | — | WO | disclosed |