Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 3/20 | 0.56 |
| ▸ | NOS1 | P29475 | 3/20 | 0.56 |
| ▸ | NOS2 | P35228 | 3/20 | 0.56 |
| ▸ | SLC7A5 | Q01650 | 9/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.51 |
| ▸ | ALPI | P09923 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | XIAP | P98170 | 1/20 | 0.51 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | LCK | P06239 | 1/20 | 0.46 |
| ▸ | FYN | P06241 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8423699 | 0.86 | NOS3 (0.56) | NOS3NOS1NOS2SLC7A5PTGS1 | |
| SCHEMBL8421426 | 0.86 | NOS3 (0.56) | NOS3NOS1NOS2SLC7A5PTGS1 | |
| Hydrochloric Acid SCHEMBL28677357 | 0.86 | NOS3 (0.55) | NOS3NOS1NOS2SLC7A5PTGS1 | |
| SCHEMBL2778005 | 0.84 | SLC7A5 (0.59) | NOS3NOS1NOS2SLC7A5PTGS1 | |
| SCHEMBL2478655 | 0.84 | SLC7A5 (0.59) | NOS3NOS1NOS2SLC7A5PTGS1 | |
| Hydrochloric Acid SCHEMBL6774618 | 0.83 | SLC7A5 (0.57) | NOS3NOS1NOS2SLC7A5PTGS1 | |
| Hydrochloric Acid SCHEMBL6771068 | 0.83 | SLC7A5 (0.57) | NOS3NOS1NOS2SLC7A5PTGS1 | |
| Hydrochloric Acid SCHEMBL6771064 | 0.83 | SLC7A5 (0.57) | NOS3NOS1NOS2SLC7A5PTGS1 | |
| Hydrochloric Acid SCHEMBL28693480 | 0.80 | SLC7A5 (0.53) | NOS3NOS1NOS2SLC7A5PTGS1 | |
| SCHEMBL2778977 | 0.79 | NOS3 (0.56) | NOS3NOS1NOS2SLC7A5PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5874472-A | Aminoacid derivatives as no synthase inhibitors | GLAXO WELLCOME INC. (US) | 1999-02-23 | — | — | US | disclosed |
| EP-0705257-B1 | AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS | WELLCOME FOUND (GB) | 1998-03-11 | — | — | EP | disclosed |
| EP-0705257-A1 | AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-04-10 | — | — | EP | disclosed |
| WO-1995000505-A1 | AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-01-05 | — | — | WO | disclosed |