Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7821065 | 0.80 | CYP2C19 (0.42) | CYP2C19HIF1AALDH1A1TDP1L3MBTL1 | |
| SCHEMBL3786557 | 0.78 | CYP2C19 (0.47) | CYP2C19HIF1AALDH1A1CYP3A4GAA | |
| SCHEMBL28821829 | 0.78 | CTSK (0.38) | KMT2AMEN1CTSK | |
| SCHEMBL7706278 | 0.74 | SMN1; SMN2 (0.36) | ALDH1A1TSHRTDP1L3MBTL1GAA | |
| SCHEMBL3997658 | 0.72 | ALDH1A1 (0.34) | ALDH1A1TSHRTDP1L3MBTL1GAA | |
| SCHEMBL27530901 | 0.69 | LTA4H (0.41) | ALDH1A1TSHRTDP1L3MBTL1GAA | |
| Citric Acid SCHEMBL7430817 | 0.68 | KDM4E (0.45) | CYP2C19HIF1AALDH1A1TSHRTDP1 | |
| SCHEMBL27663466 | 0.68 | TSHR (0.45) | CYP2C19HIF1AALDH1A1TSHRTDP1 | |
| SCHEMBL6249255 | 0.68 | POLB (0.48) | CYP2C19HIF1AALDH1A1TSHRTDP1 | |
| SCHEMBL10490529 | 0.67 | LTA4H (0.44) | CYP2C19ALDH1A1TSHRTDP1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010024762-A1 | PREPARATION OF β-PHENYL-ISOSERINE DERIVATIVES | ORGANOCLICK AKTIEBOLAG (SE) | 2010-03-04 | — | — | WO | disclosed |