Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | LTA4H | P09960 | 3/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | RARA | P10276 | 1/20 | 0.36 |
| ▸ | RARB | P10826 | 1/20 | 0.36 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL8774095 | 0.97 | NR5A1 (0.41) | ACACBCYP2D6CYP3A4CYP19A1CYP1A2 | |
| SCHEMBL8775170 | 0.96 | CYP2D6 (0.46) | CYP2D6CYP3A4CYP19A1CYP1A2CYP2C9 | |
| SCHEMBL8774435 | 0.94 | ACACB (0.40) | ACACBCHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL8774463 | 0.91 | MCHR1 (0.41) | ACACBCYP2D6CYP3A4CYP1A2HPGD | |
| SCHEMBL8774805 | 0.89 | NQO1 (0.41) | ACACB | |
| SCHEMBL8775031 | 0.85 | CYP11B1 (0.39) | ACACBCHRNA7HPGDLMNARAB9A | |
| SCHEMBL8774821 | 0.83 | FFAR1 (0.43) | RARARARBRAB9ASMN1; SMN2 | |
| SCHEMBL8774387 | 0.82 | APP (0.46) | ACACBAPPALDH1A1L3MBTL1 | |
| SCHEMBL8774374 | 0.82 | FFAR1 (0.42) | CYP3A4RARARARBLMNAKDM4E | |
| SCHEMBL9158222 | 0.82 | ACACB (0.40) | ACACBCYP2D6CYP3A4CYP19A1CYP1A2 |
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 |