Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR7 | Q9NYK1 | 12/20 | 0.38 |
| ▸ | CRHR1 | P34998 | 5/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6202548 | 0.89 | TLR7 (0.38) | TLR7CRHR1TLR8ALDH1A1POLB | |
| SCHEMBL6200464 | 0.88 | TLR7 (0.42) | TLR7CRHR1TLR8ALDH1A1POLB | |
| SCHEMBL6203100 | 0.87 | CRHR1 (0.40) | TLR7CRHR1TLR8 | |
| SCHEMBL7476643 | 0.85 | CRHR1 (0.44) | TLR7CRHR1TLR8ALDH1A1POLB | |
| SCHEMBL6201715 | 0.85 | CRHR1 (0.39) | TLR7CRHR1TLR8ALDH1A1POLB | |
| SCHEMBL6203573 | 0.85 | TLR7 (0.41) | TLR7CRHR1TLR8ALDH1A1POLB | |
| SCHEMBL6201435 | 0.83 | CRHR1 (0.41) | TLR7CRHR1TLR8ALDH1A1POLB | |
| SCHEMBL7475048 | 0.81 | CRHR1 (0.57) | CRHR1 | |
| SCHEMBL6203930 | 0.81 | TLR7 (0.44) | TLR7CRHR1TLR8POLB | |
| SCHEMBL7478618 | 0.81 | CRHR1 (0.42) | TLR7CRHR1TLR8ALDH1A1POLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1255740-A2 | SUBSTITUTED ARYLPYRAZINES | NEUROGEN CORPORATION (US) | 2002-11-13 | — | — | EP | claimed |
| WO-2001060806-A2 | SUBSTITUTED ARYLPYRAZINES | NEUROGEN CORPORATION (US) | 2001-08-23 | — | — | WO | claimed |
| EP-1255740-A2 | SUBSTITUTED ARYLPYRAZINES | NEUROGEN CORPORATION (US) | 2002-11-13 | — | — | EP | disclosed |
| WO-2001060806-A2 | SUBSTITUTED ARYLPYRAZINES | NEUROGEN CORPORATION (US) | 2001-08-23 | — | — | WO | disclosed |