Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 7/20 | 0.33 |
| ▸ | HTR2C | P28335 | 7/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 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 | |
|---|---|---|---|---|
| SCHEMBL8774546 | 1.00 | TLR4 (0.36) | TLR4MAOBHTR2AHTR2CHCAR2 | |
| SCHEMBL8774539 | 1.00 | TLR4 (0.36) | TLR4MAOBHTR2AHTR2CHCAR2 | |
| SCHEMBL8774530 | 1.00 | TLR4 (0.36) | TLR4MAOBHTR2AHTR2CHCAR2 | |
| SCHEMBL8774526 | 0.95 | MAOB (0.38) | TLR4MAOBHTR2AHTR2CHCAR2 | |
| SCHEMBL8774535 | 0.95 | MAOB (0.38) | TLR4MAOBHTR2AHTR2CHCAR2 | |
| SCHEMBL8775117 | 0.92 | CYP1A2 (0.35) | MAOBHTR2AHTR2C | |
| SCHEMBL8775110 | 0.92 | CYP1A2 (0.35) | MAOBHTR2AHTR2C | |
| SCHEMBL8775128 | 0.92 | CYP1A2 (0.35) | MAOBHTR2AHTR2C | |
| SCHEMBL8775114 | 0.92 | CYP1A2 (0.35) | MAOBHTR2AHTR2C | |
| SCHEMBL8774138 | 0.91 | MAOB (0.35) | MAOBHTR2AHTR2CHCAR2 |
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 |