Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.49 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.47 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14544619 | 0.87 | CYP2C19 (0.56) | ALDH1A1KDM4EHPGDLMNATSHR | |
| SCHEMBL14521776 | 0.85 | KDM4E (0.58) | ALDH1A1KDM4EHPGDLMNATSHR | |
| SCHEMBL12811737 | 0.82 | KMT2A (0.71) | ALDH1A1KDM4EHPGDLMNATSHR | |
| SCHEMBL11840460 | 0.80 | KMT2A (0.53) | ALDH1A1KDM4EHPGDLMNATSHR | |
| SCHEMBL9598363 | 0.80 | ADRA1A (0.59) | ALDH1A1KDM4EHPGDLMNATSHR | |
| SCHEMBL10502515 | 0.80 | DHODH (0.52) | ALDH1A1KDM4EHPGDLMNATSHR | |
| SCHEMBL137907 | 0.80 | NPC1 (0.62) | ALDH1A1KDM4EHPGDLMNATSHR | |
| SCHEMBL10777119 | 0.80 | ADRA1A (0.55) | ALDH1A1KDM4EHPGDLMNATSHR | |
| SCHEMBL8105194 | 0.79 | ADRA1D (0.48) | ALDH1A1KDM4EHPGDLMNATSHR | |
| SCHEMBL2837597 | 0.78 | POLB (0.56) | ALDH1A1KDM4EHPGDLMNAKMT2A |
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-1506172-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2011-03-30 | — | — | EP | disclosed |