Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 14/20 | 0.45 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.45 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.45 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.45 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.45 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.45 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.45 |
| ▸ | NOS3 | P29474 | 3/20 | 0.41 |
| ▸ | NOS1 | P29475 | 3/20 | 0.41 |
| ▸ | NOS2 | P35228 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | CFD | P00746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6682202 | 0.99 | SIGMAR1 (0.46) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL6677094 | 0.81 | SIGMAR1 (0.55) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| Hydrochloric Acid SCHEMBL6675353 | 0.79 | SIGMAR1 (0.56) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL6677802 | 0.78 | ADRA2A (0.56) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL6676823 | 0.77 | NOS1 (0.62) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| Hydrochloric Acid SCHEMBL6678208 | 0.77 | ADRA2A (0.58) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL13163112 | 0.77 | SIGMAR1 (0.47) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| Hydrochloric Acid SCHEMBL6677452 | 0.76 | NOS3 (0.60) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL7243106 | 0.75 | SIGMAR1 (0.39) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL6674864 | 0.72 | SIGMAR1 (0.46) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A |
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-0798292-B1 | ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY | CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) | 2004-11-03 | — | — | EP | claimed |