Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 7/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | GPR132 | Q9UNW8 | 1/20 | 0.41 |
| ▸ | F11 | P03951 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 5/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.39 |
| ▸ | WDR5 | P61964 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6927899 | 0.89 | CNR1 (0.47) | CNR1KDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL6930244 | 0.89 | CNR1 (0.46) | CNR1KDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL6930900 | 0.86 | CNR1 (0.44) | CNR1KDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL6930980 | 0.86 | CNR1 (0.44) | CNR1KDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL2158694 | 0.82 | GABRA5 (0.51) | KDM4EALDH1A1HPGDCYP1A2CYP3A4 | |
| SCHEMBL2158698 | 0.82 | GABRA5 (0.51) | KDM4EALDH1A1HPGDCYP1A2CYP3A4 | |
| SCHEMBL6928005 | 0.77 | GABRA5 (0.51) | IDO1 | |
| SCHEMBL6930043 | 0.76 | SMYD3 (0.45) | CNR1KDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL6931215 | 0.75 | GRM5 (0.49) | CNR1KDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL6928147 | 0.74 | NOX1 (0.48) | CNR1KDM4EALDH1A1HPGDCYP1A2 |
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-2011035324-A1 | O-BENZYL NICOTINAMIDE ANALOGS AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS | VANDERBILT UNIVERSITY (US) | 2011-03-24 | — | — | WO | disclosed |