Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.40 |
| ▸ | NPC1 | O15118 | 6/20 | 0.40 |
| ▸ | RAB9A | P51151 | 6/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | SUV39H2 | Q9H5I1 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9235402 | 0.91 | HPGDS (0.42) | HPGDSALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL9233193 | 0.90 | HPGDS (0.42) | HPGDSALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL9235439 | 0.89 | SUV39H2 (0.43) | CHEK2PARP1PARP2SUV39H2HPGD | |
| SCHEMBL8866171 | 0.88 | THRB (0.42) | HPGDSALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL9277027 | 0.87 | GPR119 (0.44) | HPGDSALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL9281434 | 0.83 | APP (0.45) | HPGDSALDH1A3GPR119 | |
| SCHEMBL9234782 | 0.81 | HPGDS (0.40) | HPGDSALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL9238827 | 0.80 | SUV39H2 (0.45) | CHEK2PARP1PARP2SUV39H2 | |
| SCHEMBL9233170 | 0.80 | SUV39H2 (0.43) | CHEK2PARP1PARP2SUV39H2HPGD | |
| Water SCHEMBL9282757 | 0.80 | SUV39H2 (0.42) | CHEK2PARP1PARP2SUV39H2HPGD |
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-0668278-A1 | Adhesion receptor antagonists | MERCK PATENT GmbH (DE) | 1995-08-23 | — | — | EP | disclosed |