Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.51 |
| ▸ | GLA | P06280 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.37 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA7 | P43166 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL28618725 | 0.83 | GAA (0.53) | GAAGLAKDM4ECYP1A2MMP2 | |
| SCHEMBL8236144 | 0.83 | GAA (0.53) | GAAGLAKDM4ECYP1A2MMP2 | |
| SCHEMBL1005267 | 0.81 | HSD17B10 (0.49) | GAAGLAKDM4ECYP1A2MMP2 | |
| SCHEMBL28618722 | 0.80 | KDM4E (0.50) | GAAGLAKDM4ECYP1A2MMP2 | |
| SCHEMBL1742098 | 0.80 | GAA (0.46) | GAAGLAKDM4ECYP1A2MMP2 | |
| SCHEMBL70624 | 0.80 | GAA (0.67) | GAAGLAKDM4ECYP1A2MMP2 | |
| SCHEMBL13141200 | 0.79 | GAA (0.49) | GAAGLAKDM4ECYP1A2MMP2 | |
| SCHEMBL6178828 | 0.77 | KDM4E (0.47) | GAAGLAKDM4ECYP1A2MMP2 | |
| SCHEMBL4674954 | 0.75 | GAA (0.56) | GAAGLAKDM4ECYP1A2MMP2 | |
| SCHEMBL6902078 | 0.73 | GAA (0.55) | GAAGLAKDM4ECYP1A2MMP2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5691329-A | Compounds containing basic and acidic termini useful as fibrinogen receptor antagonists | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-11-25 | — | — | US | disclosed |
| US-5563158-A | CARDIOVASCULAR DISORDERS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-10-08 | — | — | US | disclosed |
| WO-1995018111-A1 | COMPOUNDS CONTAINING BASIC AND ACIDIC TERMINI USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-07-06 | — | — | WO | disclosed |