Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ACACB | O00763 | 1/20 | 0.41 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9152404 | 0.97 | NPC1 (0.50) | KDM4EALDH1A1HPGDHTTL3MBTL1 | |
| SCHEMBL9874416 | 0.93 | KDM4E (0.45) | KDM4EALDH1A1HPGDHTTL3MBTL1 | |
| SCHEMBL9154082 | 0.91 | FFAR1 (0.48) | NPC1RAB9ASMN1; SMN2HSD17B10FFAR1 | |
| SCHEMBL9855096 | 0.85 | NPC1 (0.46) | KDM4EALDH1A1HPGDHTTL3MBTL1 | |
| SCHEMBL9855564 | 0.84 | HPGD (0.47) | KDM4EALDH1A1HPGDHTTL3MBTL1 | |
| SCHEMBL9152764 | 0.84 | ACACB (0.50) | FFAR1CHRNB2CHRNA4ACACB | |
| SCHEMBL9497308 | 0.83 | KDM4E (0.51) | KDM4EALDH1A1HPGDHTTL3MBTL1 | |
| SCHEMBL15740713 | 0.82 | NR5A1 (0.53) | NPC1RAB9ASMN1; SMN2HSD17B10NR5A1 | |
| SCHEMBL9161075 | 0.82 | FFAR1 (0.59) | KDM4EALDH1A1HPGDL3MBTL1RAB9A | |
| SCHEMBL9156078 | 0.82 | KDM4E (0.50) | KDM4EALDH1A1HPGDHTTL3MBTL1 |
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-0445248-B1 | PYRIDINE DERIVATIVES | MERCK PATENT GMBH (DE) | 1995-03-08 | — | — | EP | disclosed |
| US-5205962-A | Stable liquid crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-04-27 | — | — | US | disclosed |