Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | MME | P08473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7548562 | 0.88 | ALDH1A1 (0.47) | SPHK1HCAR2ALDH1A1EPHX1ACHE | |
| SCHEMBL12301070 | 0.85 | HCAR2 (0.36) | HCAR2ALDH1A1EPHX1LMNATAS1R3 | |
| SCHEMBL21793455 | 0.83 | CAD (0.43) | SPHK1ALDH1A1LMNATGFBR1KDM4E | |
| SCHEMBL24946263 | 0.83 | CAD (0.43) | SPHK1ALDH1A1LMNATGFBR1KDM4E | |
| SCHEMBL13940113 | 0.83 | CAD (0.43) | SPHK1ALDH1A1LMNATGFBR1KDM4E | |
| SCHEMBL113196 | 0.82 | KDM4E (0.35) | HCAR2ALDH1A1EPHX1LMNATAS1R3 | |
| SCHEMBL17189640 | 0.81 | MME (0.39) | SPHK1TGFBR1MME | |
| SCHEMBL5810986 | 0.80 | MAPT (0.38) | HCAR2ALDH1A1TGFBR1TAS1R3TAS1R1 | |
| SCHEMBL5810984 | 0.80 | MAPT (0.38) | HCAR2ALDH1A1TGFBR1TAS1R3TAS1R1 | |
| SCHEMBL25602454 | 0.80 | TAS1R3 (0.45) | ALDH1A1EPHX1LMNATAS1R3TAS1R1 |
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-1414455-B1 | ISOQUINOLINE INHIBITORS OF P38 | VERTEX PHARMA (US) | 2008-11-26 | — | — | EP | disclosed |