Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | TTR | P02766 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GFER | P55789 | 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 | |
|---|---|---|---|---|
| SCHEMBL10489476 | 0.84 | IDO1 (0.33) | MCL1CA12CA1CA2CA4 | |
| SCHEMBL8347519 | 0.82 | TAAR1 (0.33) | — | |
| SCHEMBL456067 | 0.82 | TAAR1 (0.37) | CA12CA1CA2CA4CA7 | |
| SCHEMBL9409469 | 0.80 | TAAR1 (0.37) | CA12CA1CA2CA4CA7 | |
| SCHEMBL2480627 | 0.80 | PDE4A (0.44) | MCL1CA12CA1CA2CA4 | |
| SCHEMBL6203846 | 0.80 | IDO1 (0.37) | CA12CA1CA2CA4CA7 | |
| SCHEMBL18705900 | 0.78 | SLC6A4 (0.42) | MCL1ALDH1A1 | |
| SCHEMBL8475524 | 0.78 | HMGCR (0.43) | ALDH1A1 | |
| SCHEMBL8480844 | 0.77 | TAAR1 (0.35) | — | |
| SCHEMBL18706153 | 0.77 | SLC6A4 (0.44) | ALDH1A1 |
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-1501825-A2 | SUBSTITUTED IMIDAZOLYLMETHYL PYRIDINE AND PYRAZINE DERIVATIVES: GABA A RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2005-02-02 | — | — | EP | disclosed |
| WO-2004041809-A2 | SUBSTITUTED IMIDAZOLYLMETHYL PYRIDINE AND PYRAZINE DERIVATIVES AND THEIR USE AS GABAA RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2004-05-21 | — | — | WO | disclosed |