Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 4/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.37 |
| ▸ | ACACB | O00763 | 3/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9159722 | 0.84 | NQO1 (0.42) | ACACB | |
| SCHEMBL9766674 | 0.82 | MCHR1 (0.39) | ACACBMCHR1ALDH1A1KDM4E | |
| SCHEMBL9154867 | 0.82 | ACACB (0.41) | ACACB | |
| SCHEMBL9158222 | 0.82 | ACACB (0.40) | APPACACBALDH1A1KDM4E | |
| SCHEMBL9158464 | 0.81 | NQO1 (0.39) | ACACBMCHR1CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL9158961 | 0.80 | NR5A1 (0.42) | ACACBALDH1A1KDM4E | |
| SCHEMBL8774387 | 0.79 | APP (0.46) | APPKCNH2TRPV3ACACBMCHR1 | |
| SCHEMBL9157311 | 0.79 | CYP2D6 (0.47) | MCHR1ALDH1A1KDM4E | |
| SCHEMBL9157720 | 0.79 | MCHR1 (0.42) | ACACBMCHR1ALDH1A1KDM4E | |
| SCHEMBL9154284 | 0.77 | CYP2A6 (0.39) | ACACB |
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 |