Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | HTR2B | P41595 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9496659 | 1.00 | HTR2C (0.32) | HTR2CHTR2BHTR2AGABRA1GABRB2 | |
| SCHEMBL9498031 | 0.96 | HTR2C (0.31) | HTR2CHTR2BHTR2A | |
| SCHEMBL9855742 | 0.96 | HTR2C (0.31) | HTR2CHTR2BHTR2A | |
| SCHEMBL9498042 | 0.96 | HTR2C (0.31) | HTR2CHTR2BHTR2A | |
| SCHEMBL10511670 | 0.95 | HTR2C (0.30) | HTR2CHTR2BHTR2A | |
| SCHEMBL9496118 | 0.94 | ALDH1A1 (0.30) | — | |
| SCHEMBL9496126 | 0.94 | ALDH1A1 (0.30) | — | |
| SCHEMBL9500089 | 0.93 | ALDH1A1 (0.34) | — | |
| SCHEMBL9500098 | 0.93 | ALDH1A1 (0.34) | — | |
| SCHEMBL10512671 | 0.92 | — | — |
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-0306505-B1 | ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES | MERCK PATENT GmbH (DE) | 1993-03-24 | — | — | EP | disclosed |
| US-5068053-A | Liquid crystals for optical apparatus | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-11-26 | — | — | US | disclosed |