Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.37 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | PTPRC | P08575 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | USP2 | O75604 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3940105 | 0.92 | ALDH1A1 (0.46) | ALDH1A1CYP3A4HSD17B10HPGDTDP1 | |
| SCHEMBL5425959 | 0.78 | ALDH1A1 (0.33) | ALDH1A1CYP3A4HSD17B10HPGDTDP1 | |
| SCHEMBL29368065 | 0.77 | DNMT1 (0.40) | ALDH1A1CYP3A4HSD17B10HPGDTDP1 | |
| SCHEMBL30616100 | 0.77 | DNMT1 (0.40) | ALDH1A1CYP3A4HSD17B10HPGDTDP1 | |
| SCHEMBL275907 | 0.77 | DNMT1 (0.40) | ALDH1A1CYP3A4HSD17B10HPGDTDP1 | |
| SCHEMBL8595804 | 0.75 | DNMT1 (0.39) | ALDH1A1CYP3A4HSD17B10HPGDTDP1 | |
| SCHEMBL30436853 | 0.75 | DNMT1 (0.39) | ALDH1A1CYP3A4HSD17B10HPGDTDP1 | |
| SCHEMBL8719693 | 0.75 | TTR (0.43) | ALDH1A1HSD17B10TDP1L3MBTL1KMT2A | |
| Hydrochloric Acid SCHEMBL8719043 | 0.74 | DNMT1 (0.38) | ALDH1A1CYP3A4HSD17B10HPGDTDP1 | |
| Hydrochloric Acid SCHEMBL8719044 | 0.74 | DNMT1 (0.38) | ALDH1A1CYP3A4HSD17B10HPGDTDP1 |
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-0855390-A1 | A process for producing optically active pyrrolidine derivatives | Takasago International Corporation (JP) | 1998-07-29 | — | — | EP | disclosed |