Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PRKDC | P78527 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL13256441 | 0.79 | ALDH1A1 (0.44) | ALDH1A1LMNAHTTSLC2A1KDM4E | |
| SCHEMBL929210 | 0.74 | ALDH1A1 (0.41) | ALDH1A1LMNAHTTSLC2A1KDM4E | |
| SCHEMBL29457179 | 0.71 | — | — | |
| SCHEMBL696060 | 0.71 | — | — | |
| SCHEMBL8627316 | 0.70 | ALDH1A1 (0.45) | ALDH1A1LMNAHTTSLC2A1KDM4E | |
| SCHEMBL10844519 | 0.70 | ALDH1A1 (0.45) | ALDH1A1LMNAHTTSLC2A1KDM4E | |
| SCHEMBL904632 | 0.69 | — | — | |
| SCHEMBL2727907 | 0.68 | ALDH1A1 (0.50) | ALDH1A1LMNAHTTSLC2A1KDM4E | |
| SCHEMBL6808561 | 0.68 | ALDH1A1 (0.46) | ALDH1A1LMNAHTTSLC2A1KDM4E | |
| SCHEMBL2552339 | 0.68 | ALDH1A1 (0.46) | ALDH1A1LMNAHTTSLC2A1KDM4E |
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-2149561-B1 | TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF | SELDAR PHARMA INC (US) | 2015-09-09 | — | — | EP | disclosed |