Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 15/20 | 0.47 |
| ▸ | GRIN1 | Q05586 | 10/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.42 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.42 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.42 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9219198 | 0.82 | MIF (0.41) | GRIN2BGRIN1IDO1ALDH1A1MIF | |
| SCHEMBL7104421 | 0.82 | TAAR1 (0.49) | GRIN2BGRIN1IDO1 | |
| SCHEMBL7760203 | 0.82 | TAAR1 (0.49) | GRIN2BGRIN1IDO1 | |
| SCHEMBL9219195 | 0.82 | MIF (0.41) | GRIN2BGRIN1IDO1ALDH1A1MIF | |
| SCHEMBL7104418 | 0.82 | TAAR1 (0.49) | GRIN2BGRIN1IDO1 | |
| SCHEMBL15944878 | 0.80 | NOS2 (0.50) | GRIN2BGRIN1NOS2GRIN2DGRIN3B | |
| SCHEMBL15000001 | 0.77 | GRIN2B (0.54) | GRIN2BIDO1ALDH1A1MIF | |
| SCHEMBL15000004 | 0.77 | GRIN2B (0.54) | GRIN2BIDO1ALDH1A1MIF | |
| SCHEMBL8355436 | 0.76 | NOS2 (0.55) | GRIN2BGRIN1NOS2CES1GRIN2D | |
| SCHEMBL931264 | 0.76 | NOS2 (0.55) | GRIN2BGRIN1NOS2CES1GRIN2D |
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-0531702-B1 | Process for the manufacture of insecticidal, nematicidal and acaricidal 2-aryl-3-subst. -5-(trifluoromethyl)pyrrole compounds from N-(subst. benzyl)-2,2,2-trifluoroacetimidoyl chloride compounds | BASF AG (DE) | 2001-05-30 | — | — | EP | disclosed |