Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | ACACB | O00763 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | LTA4H | P09960 | 2/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8774700 | 0.97 | KDM4E (0.47) | KDM4EALDH1A1HPGDHTTL3MBTL1 | |
| SCHEMBL8774528 | 0.94 | ACACB (0.42) | KDM4EALDH1A1HPGDHTTL3MBTL1 | |
| SCHEMBL8774215 | 0.88 | ACACB (0.44) | ACACB | |
| SCHEMBL8774677 | 0.84 | FFAR1 (0.43) | KDM4EALDH1A1HPGDL3MBTL1CYP3A4 | |
| SCHEMBL8774719 | 0.82 | HSD17B10 (0.44) | KDM4EALDH1A1HPGDL3MBTL1CYP3A4 | |
| SCHEMBL9470533 | 0.81 | GRM5 (0.44) | HTTCYP2D6CYP3A4ACACBNPC1 | |
| SCHEMBL9469465 | 0.81 | LTA4H (0.46) | HTTCYP2D6CYP3A4ACACBLTA4H | |
| SCHEMBL8774460 | 0.81 | HSD17B10 (0.43) | KDM4EALDH1A1HPGDL3MBTL1NPC1 | |
| SCHEMBL8774897 | 0.81 | FFAR1 (0.45) | ACACBNPC1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL9158883 | 0.80 | GRM5 (0.47) | 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-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 |