Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.68 |
| ▸ | NOS1 | P29475 | 2/20 | 0.68 |
| ▸ | NOS2 | P35228 | 2/20 | 0.68 |
| ▸ | GABRP | O00591 | 3/20 | 0.48 |
| ▸ | GABRD | O14764 | 3/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.48 |
| ▸ | GABRB1 | P18505 | 3/20 | 0.48 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.48 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.48 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.48 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.48 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.48 |
| ▸ | GABRA4 | P48169 | 3/20 | 0.48 |
| ▸ | GABRE | P78334 | 3/20 | 0.48 |
| ▸ | GABRA6 | Q16445 | 3/20 | 0.48 |
| ▸ | GABRG1 | Q8N1C3 | 3/20 | 0.48 |
| ▸ | GABRG3 | Q99928 | 3/20 | 0.48 |
| ▸ | GABRQ | Q9UN88 | 3/20 | 0.48 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL20465811 | 0.83 | NOS3 (0.56) | NOS3NOS1NOS2GABRPGABRD | |
| SCHEMBL554353 | 0.81 | NOS3 (0.70) | NOS3NOS1NOS2GABRPGABRD | |
| SCHEMBL8322579 | 0.81 | NOS3 (1.00) | NOS3NOS1NOS2GABRPGABRD | |
| SCHEMBL14076849 | 0.79 | NOS3 (0.68) | NOS3NOS1NOS2GABRPGABRD | |
| Hydrochloric Acid SCHEMBL7049175 | 0.79 | NOS3 (0.68) | NOS3NOS1NOS2GABRPGABRD | |
| Hydrochloric Acid SCHEMBL17442768 | 0.79 | NOS3 (0.68) | NOS3NOS1NOS2GABRPGABRD | |
| SCHEMBL7880211 | 0.78 | UHRF1 (0.46) | NOS3NOS1NOS2LMNAKDM4E | |
| SCHEMBL2729044 | 0.77 | NOS3 (0.65) | NOS3NOS1NOS2GABRPGABRD | |
| SCHEMBL21652671 | 0.75 | KDM4E (0.41) | NOS3NOS1NOS2LMNAKDM4E | |
| SCHEMBL18795074 | 0.75 | ALDH1A1 (0.41) | NOS3NOS1NOS2LMNAKDM4E |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003013523-A1 | SH3 PROTEIN DOMAINS AND THEIR LIGANDS | ADELAIDE RESEARCH & INNOVATION PTY LTD (AU) | 2003-02-20 | — | — | WO | claimed |
| US-5972975-A | Substituted 2-aminopyridines as inhibitors of nitric oxide synthase | MERCK & CO., INC. (US) | 1999-10-26 | — | — | US | claimed |
| WO-1996018616-A1 | SUBSTITUTED 2-AMINOPYRIDINES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO., INC. (US) | 1996-06-20 | — | — | WO | claimed |
| WO-2018111707-A1 | 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS | ELI LILLY AND COMPANY (US) | 2018-06-21 | — | — | WO | disclosed |
| WO-2003013523-A1 | SH3 PROTEIN DOMAINS AND THEIR LIGANDS | ADELAIDE RESEARCH & INNOVATION PTY LTD (AU) | 2003-02-20 | — | — | WO | disclosed |
| US-5972975-A | Substituted 2-aminopyridines as inhibitors of nitric oxide synthase | MERCK & CO., INC. (US) | 1999-10-26 | — | — | US | disclosed |
| WO-1996018616-A1 | SUBSTITUTED 2-AMINOPYRIDINES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO., INC. (US) | 1996-06-20 | — | — | WO | disclosed |