Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | FAAH | O00519 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CPA1 | P15085 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7412482 | 0.79 | CYP3A4 (0.50) | CES1CYP3A4CYP1A2RECQLSMN1; SMN2 | |
| SCHEMBL6330677 | 0.77 | CYP3A4 (0.64) | CES1CYP3A4CYP1A2RECQLSMN1; SMN2 | |
| SCHEMBL9191753 | 0.74 | CYP3A4 (0.49) | CES1CYP3A4CYP1A2RECQLSMN1; SMN2 | |
| SCHEMBL9191755 | 0.74 | CYP3A4 (0.49) | CES1CYP3A4CYP1A2RECQLSMN1; SMN2 | |
| SCHEMBL24965070 | 0.74 | CYP3A4 (0.49) | CES1CYP3A4CYP1A2RECQLSMN1; SMN2 | |
| SCHEMBL9547513 | 0.72 | SMN1; SMN2 (0.52) | CES1CYP3A4CYP1A2RECQLSMN1; SMN2 | |
| SCHEMBL9551384 | 0.71 | HTT (0.46) | CES1CYP3A4CYP1A2RECQLSMN1; SMN2 | |
| SCHEMBL3787958 | 0.71 | CA12 (0.48) | CYP3A4CYP1A2RECQLMAPK1ALDH1A1 | |
| SCHEMBL6438136 | 0.70 | SMN1; SMN2 (0.55) | CES1CYP3A4CYP1A2RECQLSMN1; SMN2 | |
| SCHEMBL7462953 | 0.70 | ALDH1A1 (0.44) | CES1CYP3A4CYP1A2RECQLMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2496704-A1 | THERAPEUTIC COMPOUNDS | Rutgers, The State University of New Jersey (US) | 2012-09-12 | — | — | EP | disclosed |
| WO-2011057126-A1 | THERAPEUTIC COMPOUNDS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2011-05-12 | — | — | WO | disclosed |