Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR5A1 | Q13285 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8774602 | 0.97 | ACACB (0.39) | NR5A1LTA4HKDM4EALDH1A1HPGD | |
| SCHEMBL8775170 | 0.94 | CYP2D6 (0.46) | KDM4EALDH1A1HPGDHTTL3MBTL1 | |
| SCHEMBL8774435 | 0.92 | ACACB (0.40) | HTTACACBLMNA | |
| SCHEMBL8774463 | 0.88 | MCHR1 (0.41) | ALDH1A1HPGDACACBTP53CYP2D6 | |
| SCHEMBL8774805 | 0.86 | NQO1 (0.41) | TSHRACACB | |
| SCHEMBL8774374 | 0.83 | FFAR1 (0.42) | KDM4EALDH1A1L3MBTL1TSHRTP53 | |
| SCHEMBL8775031 | 0.83 | CYP11B1 (0.39) | KDM4EALDH1A1HPGDACACBNPC1 | |
| SCHEMBL9158961 | 0.83 | NR5A1 (0.42) | NR5A1LTA4HKDM4EALDH1A1HPGD | |
| SCHEMBL8774302 | 0.82 | HSD17B10 (0.43) | KDM4EALDH1A1TSHRTP53CYP3A4 | |
| SCHEMBL8774821 | 0.81 | FFAR1 (0.43) | TSHRTP53NPC1RAB9A |
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 |