Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 2/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL8774397 | 0.97 | NPC1 (0.47) | ALDH1A1KDM4EHPGDHTTL3MBTL1 | |
| SCHEMBL8774497 | 0.92 | ACACB (0.43) | ALDH1A1KDM4EHPGDHTTL3MBTL1 | |
| SCHEMBL8774402 | 0.85 | ALDH1A1 (0.51) | ALDH1A1KDM4EHPGDSMN1; SMN2MCHR1 | |
| SCHEMBL8774237 | 0.83 | HSD17B10 (0.42) | ALDH1A1KDM4EHPGDL3MBTL1NPC1 | |
| SCHEMBL8774593 | 0.82 | FFAR1 (0.41) | ALDH1A1KDM4EL3MBTL1NPC1RAB9A | |
| SCHEMBL9160932 | 0.81 | KDM4E (0.50) | ALDH1A1KDM4EHPGDHTTL3MBTL1 | |
| SCHEMBL8774768 | 0.80 | NPC1 (0.54) | ALDH1A1KDM4EHPGDHTTL3MBTL1 | |
| SCHEMBL8774531 | 0.79 | NPC1 (0.52) | ALDH1A1KDM4EHPGDHTTL3MBTL1 | |
| SCHEMBL6499085 | 0.79 | THRB (0.43) | ALDH1A1KDM4EHPGDHTTNPC1 | |
| SCHEMBL8774695 | 0.78 | FFAR1 (0.43) | ALDH1A1MCHR1ACACB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0519370-B1 | Heterocyclic derivatives | MERCK PATENT GMBH (DE) | 1997-11-05 | — | — | EP | disclosed |
| EP-0519370-A2 | Heterocyclic derivatives | MERCK PATENT GmbH (DE) | 1992-12-23 | — | — | EP | disclosed |