Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 5/20 | 0.64 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | BCHE | P06276 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
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 SCHEMBL8310357 | 0.99 | GRIN2B (0.63) | GRIN2BHRH3MAOAMAOBBCHE | |
| SCHEMBL8188704 | 0.89 | GRIN2B (0.64) | GRIN2BHRH3MAOAMAOBBCHE | |
| Hydrochloric Acid SCHEMBL8178175 | 0.87 | GRIN2B (0.63) | GRIN2BHRH3MAOAMAOBBCHE | |
| Hydrochloric Acid SCHEMBL8188653 | 0.87 | GRIN2B (0.63) | GRIN2BHRH3MAOAMAOBBCHE | |
| SCHEMBL2160788 | 0.82 | GRIN2B (0.62) | GRIN2BHRH3MAOAMAOBBCHE | |
| SCHEMBL18722296 | 0.82 | GRIN2B (0.62) | GRIN2BHRH3MAOAMAOBBCHE | |
| SCHEMBL7146949 | 0.82 | GRIN2B (0.62) | GRIN2BHRH3MAOAMAOBBCHE | |
| SCHEMBL7149968 | 0.82 | GRIN2B (0.62) | GRIN2BHRH3MAOAMAOBBCHE | |
| Hydrochloric Acid SCHEMBL5969839 | 0.80 | GRIN2B (0.60) | GRIN2BHRH3MAOAMAOBBCHE | |
| SCHEMBL11888082 | 0.80 | GRIN2B (0.46) | GRIN2BMAOAMAOBBCHEACHE |
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-0759027-B1 | BICYCLIC AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHETASE | ASTRA AB (SE) | 1999-08-04 | — | — | EP | disclosed |
| US-5807886-A | Bicyclic amidine dervatives as inhibitors of nitric oxide synthetase | ASTRA AKTIEBOLAG (SE) | 1998-09-15 | — | — | US | disclosed |