Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | APP | P05067 | 13/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ACACB | O00763 | 1/20 | 0.43 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.43 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10512889 | 0.95 | TSHR (0.54) | TSHRAPPCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8379631 | 0.90 | CYP1A2 (0.51) | TSHRCYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL9511335 | 0.88 | L3MBTL1 (0.56) | TSHRAPPCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8377181 | 0.86 | TSHR (0.55) | TSHRCYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL9512559 | 0.85 | MCHR1 (0.51) | TSHRCYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL9512229 | 0.85 | APP (0.51) | APPL3MBTL1ACACB | |
| SCHEMBL9512393 | 0.83 | APP (0.50) | APPMEN1MAPK1KMT2AACACB | |
| SCHEMBL13420024 | 0.83 | APP (0.71) | TSHRAPPTDP1ACACB | |
| SCHEMBL13420019 | 0.83 | APP (0.71) | APPACACB | |
| SCHEMBL8376570 | 0.83 | NR5A1 (0.53) | TSHRCYP1A2CYP2D6CYP2C19TDP1 |
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 |