Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 4/20 | 0.47 |
| ▸ | NOS2 | P35228 | 4/20 | 0.47 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.34 |
| ▸ | GABRP | O00591 | 1/20 | 0.34 |
| ▸ | GABRD | O14764 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.34 |
| ▸ | GABRE | P78334 | 1/20 | 0.34 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17545822 | 0.79 | NOS2 (0.56) | NOS3NOS2NOS1 | |
| SCHEMBL22791916 | 0.77 | NOS2 (0.54) | NOS3NOS2ALDH1A1NOS1 | |
| SCHEMBL6952633 | 0.73 | PTGS1 (0.37) | NAPRTALDH1A1PTGS2PTGS1KDM4C | |
| Bicarbonate SCHEMBL4611832 | 0.73 | NOS2 (0.79) | NOS3NOS2NAPRTNOS1GABRP | |
| SCHEMBL480040 | 0.72 | NAPRT (0.55) | NOS3NOS2NAPRTALDH1A1GABRP | |
| SCHEMBL29009989 | 0.71 | PTGS2 (0.40) | NAPRTPTGS2PTGS1AKR1C3AKR1C2 | |
| SCHEMBL7381015 | 0.70 | CYP3A4 (0.48) | ALDH1A1PTGS2PTGS1CXCL8MMP1 | |
| SCHEMBL4922036 | 0.70 | NAPRT (0.41) | NOS3NOS2NAPRTALDH1A1GABRP | |
| SCHEMBL21436764 | 0.69 | EPHX1 (0.36) | NOS3NOS2CXCL8 | |
| SCHEMBL25512311 | 0.69 | MMP2 (0.43) | PTGS2PTGS1CXCL8MMP1MMP2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0674623-B1 | BICYCLIC FIBRINOGEN ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2003-04-09 | — | — | EP | disclosed |
| US-6403578-B1 | ANTICOAGULANTS, CARDIOVASCULAR DISORDERS | SMITHKLINE BEECHAM CORPORATION | 2002-06-11 | — | — | US | disclosed |
| EP-0674623-A1 | BICYCLIC FIBRINOGEN ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1995-10-04 | — | — | EP | disclosed |
| WO-1994014776-A2 | BICYCLIC FIBRINOGEN ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1994-07-07 | — | — | WO | disclosed |