Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 2/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | HRH2 | P25021 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.34 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.33 |
| ▸ | GSK3A | P49840 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9509991 | 0.96 | APP (0.40) | APPMCHR1MTNR1AMTNR1BKCNH2 | |
| SCHEMBL9511434 | 0.92 | APP (0.42) | APPMCHR1MTNR1AMTNR1BKCNH2 | |
| SCHEMBL10527260 | 0.92 | MTNR1A (0.36) | APPMCHR1MTNR1AMTNR1BKCNH2 | |
| SCHEMBL9512289 | 0.90 | ACACB (0.39) | MCHR1CYP19A1ACACBALDH1A1HPGD | |
| SCHEMBL9512376 | 0.89 | ACACB (0.39) | MAPTACACBL3MBTL1 | |
| SCHEMBL9512387 | 0.88 | ACACB (0.41) | MCHR1ACACB | |
| SCHEMBL9512426 | 0.86 | CNR2 (0.40) | MCHR1CYP19A1ACACBMEN1ALDH1A1 | |
| SCHEMBL9509471 | 0.86 | APP (0.45) | APPMCHR1MTNR1AMTNR1BKCNH2 | |
| SCHEMBL9508900 | 0.85 | MAPT (0.41) | MAPTACACBL3MBTL1 | |
| SCHEMBL9512534 | 0.85 | CNR2 (0.42) | ALDH1A1HPGDL3MBTL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0308438-B1 | LIQUID CRYSTAL PHASE CONTAINING TOLANES | MERCK PATENT GmbH (DE) | 1993-09-29 | — | — | EP | disclosed |