Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 14/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8774634 | 0.94 | KDM4E (0.43) | ACACBCHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL8774700 | 0.92 | KDM4E (0.47) | ACACBLTA4HALDH1A1NPC1RAB9A | |
| SCHEMBL8774215 | 0.88 | ACACB (0.44) | ACACB | |
| SCHEMBL9470588 | 0.81 | LTA4H (0.46) | ACACBCHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL9469740 | 0.81 | ACACB (0.46) | ACACBCHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL8774897 | 0.81 | FFAR1 (0.45) | ACACBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9154569 | 0.80 | GRM5 (0.47) | ACACBCHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL8774154 | 0.80 | EGLN1 (0.47) | ACACB | |
| SCHEMBL8774435 | 0.80 | ACACB (0.40) | ACACBCHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL8774900 | 0.79 | CYP2D6 (0.46) | ACACBCHRNA7LTA4HALDH1A1NPC1 |
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 |