Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.79 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.79 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.61 |
| ▸ | MEN1 | O00255 | 3/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.61 |
| ▸ | FLT3 | P36888 | 2/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.60 |
| ▸ | HPGD | P15428 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.59 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | CNR2 | P34972 | 5/20 | 0.57 |
| ▸ | CNR1 | P21554 | 3/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL21604237 | 0.89 | CYP1A2 (0.62) | CYP1A2CYP2C9KMT2AMEN1CYP2C19 | |
| SCHEMBL21603761 | 0.88 | CYP1A2 (0.61) | CYP1A2CYP2C9KMT2AMEN1CYP2C19 | |
| SCHEMBL21603687 | 0.87 | CNR2 (0.71) | CYP1A2CYP2C9KMT2AMEN1CYP2C19 | |
| SCHEMBL21603765 | 0.86 | CNR2 (0.77) | CYP1A2CYP2C9KMT2AMEN1CYP2C19 | |
| SCHEMBL4079868 | 0.86 | CNR2 (0.66) | CYP1A2CYP2C9KMT2AMEN1CYP2C19 | |
| SCHEMBL21604020 | 0.85 | CYP1A2 (0.60) | CYP1A2CYP2C9KMT2AMEN1CYP2C19 | |
| SCHEMBL21603984 | 0.84 | CYP1A2 (0.54) | CYP1A2CYP2C9KMT2AMEN1CYP2C19 | |
| SCHEMBL21604028 | 0.83 | CNR2 (0.70) | CYP1A2CYP2C9KMT2AMEN1CYP2C19 | |
| SCHEMBL4094326 | 0.82 | CNR2 (0.63) | CYP1A2CYP2C9KMT2AMEN1CYP2C19 | |
| SCHEMBL19475081 | 0.82 | ALDH1A1 (0.73) | CYP1A2CYP2C9KMT2AMEN1TP53 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005033102-A2 | THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF | AMPHORA DISCOVERY CORPORATION (US) | 2005-04-14 | — | — | WO | disclosed |