Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 6/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | ACACB | O00763 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9303569 | 1.00 | HPGD (0.49) | HPGDNPC1RAB9ATP53CYP1A2 | |
| SCHEMBL9303399 | 0.87 | HPGD (0.51) | HPGDNPC1RAB9ATDP1GAA | |
| SCHEMBL9303388 | 0.87 | HPGD (0.51) | HPGDNPC1RAB9ATDP1GAA | |
| SCHEMBL9305397 | 0.86 | HPGD (0.51) | HPGDNPC1RAB9ATP53CYP1A2 | |
| SCHEMBL9305401 | 0.86 | HPGD (0.51) | HPGDNPC1RAB9ATP53CYP1A2 | |
| SCHEMBL9303874 | 0.83 | TSHR (0.50) | HPGDNPC1RAB9ATDP1GAA | |
| SCHEMBL9303877 | 0.83 | TSHR (0.50) | HPGDNPC1RAB9ATDP1GAA | |
| SCHEMBL9304079 | 0.81 | HPGD (0.57) | HPGDTP53TDP1GAAALDH1A1 | |
| SCHEMBL15429710 | 0.77 | HPGD (0.62) | HPGDNPC1RAB9ATP53TDP1 | |
| SCHEMBL18117368 | 0.77 | HPGD (0.62) | HPGDNPC1RAB9ATP53TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5334730-A | Amidation with an 2-aminocarboxylic acid ester, cleavage the amide bond, solvent extraction to isolate | CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) | 1994-08-02 | — | — | US | disclosed |