Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.35 |
| ▸ | METAP2 | P50579 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 2/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8471733 | 0.85 | CYP1A2 (0.36) | ABCG2ADORA2AALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL10816904 | 0.84 | KDM4E (0.41) | ADORA2AALDH1A1 | |
| SCHEMBL10983261 | 0.79 | ADORA2A (0.45) | ABCG2ADORA2AALDH1A1CYP1A2 | |
| SCHEMBL8470699 | 0.77 | ABCG2 (0.37) | ABCG2METAP2ADORA2ACHRNB4CHRNA3 | |
| SCHEMBL10986562 | 0.76 | KDM4E (0.41) | ADORA2AALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8470750 | 0.76 | TSPO (0.45) | ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8470649 | 0.73 | ABCG2 (0.35) | ABCG2METAP2ADORA2ACHRNB4CHRNA3 | |
| SCHEMBL8474142 | 0.72 | PDE4A (0.41) | ABCG2ALDH1A1CYP1A2CYP2C19PDE4A | |
| SCHEMBL14018750 | 0.70 | TSPO (0.45) | ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL8470642 | 0.69 | PLK1 (0.42) | ALDH1A1CYP1A2CYP2C9CYP2C19PDE4A |
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 |
|---|---|---|---|---|---|---|---|
| US-5998624-A | MEDICAL DIAGNOSIS; BINDING TO SITE OF INJURY, INFLAMMATION | EMORY UNIVERSITY (US) | 1999-12-07 | — | — | US | disclosed |
| WO-1998049900-A1 | HALOISOQUINOLINE CARBOXAMIDE | EMORY UNIVERSITY (US) | 1998-11-12 | — | — | WO | disclosed |