Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.43 |
| ▸ | HPGDS | O60760 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | XBP1 | P17861 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | ESRRG | P62508 | 1/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18573580 | 0.89 | HSD17B1 (0.55) | HPGDHSD17B1HSD17B2HPGDSMAPT | |
| SCHEMBL18573579 | 0.81 | KMT2A (0.48) | HPGDHSD17B1HSD17B2HPGDSMAPT | |
| SCHEMBL18573587 | 0.79 | ACKR3 (0.39) | HPGDHPGDSMAPTKDM4EKMT2A | |
| SCHEMBL20310142 | 0.75 | RAB9A (0.43) | HPGDHPGDSMAPTKDM4EKMT2A | |
| SCHEMBL23222410 | 0.75 | ALDH1A1 (0.57) | HPGDHPGDSKDM4ESMN1; SMN2NPC1 | |
| SCHEMBL18573541 | 0.74 | HSD17B1 (0.59) | HPGDHSD17B1HSD17B2HPGDSMAPT | |
| SCHEMBL21625714 | 0.73 | HSD17B1 (0.50) | HPGDHSD17B1HSD17B2MAPTKDM4E | |
| SCHEMBL30977647 | 0.73 | HSD17B1 (0.50) | HPGDHSD17B1HSD17B2MAPTKDM4E | |
| SCHEMBL18573588 | 0.73 | HDAC6 (0.58) | HPGDHPGDSMAPTKDM4EKMT2A | |
| SCHEMBL18573590 | 0.73 | NPC1 (0.62) | HPGDNPSR1MAPTKDM4EKMT2A |
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-2017034242-A2 | NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | 주식회사 유영제약 | 2017-03-02 | — | — | WO | disclosed |