Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 6/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | PLA2G10 | O15496 | 2/20 | 0.53 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 3/20 | 0.52 |
| ▸ | MAOB | P27338 | 3/20 | 0.52 |
| ▸ | KDM1A | O60341 | 1/20 | 0.51 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.50 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11119221 | 0.85 | KEAP1 (0.57) | PARP1POLBCYP3A4MAPTTSHR | |
| SCHEMBL4224616 | 0.85 | PLA2G2A (0.69) | PARP1POLBCYP3A4MAPTTSHR | |
| SCHEMBL3054119 | 0.85 | CYP4F2 (0.62) | PARP1POLBCYP3A4MAPTTSHR | |
| SCHEMBL8342426 | 0.85 | TAAR1 (0.55) | PARP1MEP1BFOLH1 | |
| SCHEMBL30395109 | 0.84 | FOLH1 (0.66) | FOLH1 | |
| SCHEMBL1817886 | 0.84 | FOLH1 (0.66) | FOLH1 | |
| SCHEMBL5645749 | 0.83 | PARP1 (0.53) | PARP1POLBCYP3A4MAPTTSHR | |
| SCHEMBL31487553 | 0.83 | PARP1 (0.53) | PARP1MEP1BFOLH1 | |
| Hydrochloric Acid SCHEMBL28744996 | 0.83 | TAAR1 (0.53) | PARP1MEP1BFOLH1 | |
| SCHEMBL5232156 | 0.83 | PARP1 (0.53) | PARP1POLBCYP3A4MAPTTSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108440328-A | A kind of amide takes off boc-protected method | 常熟理工学院 | 2018-08-24 | — | — | CN | disclosed |
| US-RE43343-E1 | Inhibitors of histone deacetylase | METHYLGENE INC. (CA) | 2012-05-01 | — | — | US | disclosed |