Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.40 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | MEF2D | Q14814 | 1/20 | 0.40 |
| ▸ | PRKACA | P17612 | 2/20 | 0.40 |
| ▸ | GSK3A | P49840 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2364024 | 0.77 | CYP1A2 (0.55) | CYP1A2CYP2C19CYP2C9ALDH1A1MAPK1 | |
| SCHEMBL10102739 | 0.75 | CYP1A2 (1.00) | CYP1A2CYP2C19CYP2C9ALDH1A1MAPK1 | |
| SCHEMBL23303777 | 0.74 | CA2 (0.62) | CYP1A2CYP2C19CYP2C9KDM4E | |
| SCHEMBL7825903 | 0.71 | CYP1A2 (0.88) | CYP1A2CYP2C19CYP2C9ALDH1A1MAPK1 | |
| SCHEMBL9830868 | 0.70 | CA2 (0.53) | HDAC4 | |
| SCHEMBL1649541 | 0.69 | CYP1A2 (0.55) | CYP1A2CYP2C19CYP2C9ALDH1A1MAPK1 | |
| Adipic Acid SCHEMBL1648545 | 0.69 | CYP2C19 (0.58) | CYP1A2CYP2C19CYP2C9ALDH1A1TBXAS1 | |
| SCHEMBL5857603 | 0.68 | CA2 (0.55) | — | |
| SCHEMBL7032674 | 0.68 | CA2 (0.50) | CYP1A2CYP2C19KDM4EMPOCYP3A4 | |
| SCHEMBL7032672 | 0.68 | CA2 (0.50) | CYP1A2CYP2C19KDM4EMPOCYP3A4 |
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-20070026078-A1 | Pharmaceutical co-crystal compositions | TRANSFORM PHARMACEUTICALS, INC. (US) | 2007-02-01 | — | — | US | claimed |
| US-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |
| US-20100311701-A1 | Pharmaceutical Co-Crystal Compositions | TRANSFORM PHARMACEUTICALS, INC (US) | 2010-12-09 | — | — | US | disclosed |
| US-20070026078-A1 | Pharmaceutical co-crystal compositions | TRANSFORM PHARMACEUTICALS, INC. (US) | 2007-02-01 | — | — | US | disclosed |