Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.35 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | PTGES | O14684 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.31 |
| ▸ | BIRC5 | O15392 | 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 | |
|---|---|---|---|---|
| SCHEMBL12850536 | 0.79 | HTT (0.38) | HTTCYP1A2CYP2C19PABPC1PIK3R1 | |
| SCHEMBL12850554 | 0.79 | ERN1 (0.39) | HTTCYP1A2CYP2C19PABPC1PIK3R1 | |
| SCHEMBL2621768 | 0.79 | HTT (0.36) | HTTCYP1A2CYP2C19PABPC1PIK3R1 | |
| SCHEMBL27127705 | 0.77 | TGFBR1 (0.35) | HTTCYP1A2CYP2C19PIK3R1PIK3CA | |
| SCHEMBL29830797 | 0.77 | TGFBR1 (0.35) | HTTCYP1A2CYP2C19PIK3R1PIK3CA | |
| SCHEMBL27030609 | 0.77 | TGFBR1 (0.35) | HTTCYP1A2CYP2C19PIK3R1PIK3CA | |
| SCHEMBL7940364 | 0.77 | RAB9A (0.50) | HTTCYP1A2CYP2C19PAX8RAB9A | |
| SCHEMBL30390906 | 0.73 | HTT (0.41) | HTTCYP1A2CYP2C19PABPC1PIK3R1 | |
| SCHEMBL1639504 | 0.73 | HTT (0.41) | HTTCYP1A2CYP2C19PABPC1PIK3R1 | |
| SCHEMBL1758976 | 0.73 | HPGD (0.34) | HTTCYP1A2CYP2C19PABPC1PAX8 |
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-2916838-B1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA INC (US) | 2019-03-13 | — | — | EP | disclosed |