Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 13/20 | 0.41 |
| ▸ | CNR1 | P21554 | 10/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6428342 | 0.81 | CNR2 (0.50) | CNR2CNR1KDM4EALDH1A1PARP1 | |
| SCHEMBL17151496 | 0.73 | CNR2 (0.40) | CNR2CNR1ALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL20697298 | 0.73 | PARP1 (0.46) | KDM4EALDH1A1HPGDCYP3A4PARP1 | |
| SCHEMBL6304723 | 0.73 | ELANE (0.40) | CNR2CNR1KDM4EALDH1A1PARP1 | |
| SCHEMBL6302528 | 0.72 | ELANE (0.41) | CNR2CNR1KDM4EALDH1A1PARP1 | |
| SCHEMBL20945157 | 0.72 | PARP1 (0.47) | CNR2CNR1KDM4EALDH1A1HPGD | |
| SCHEMBL6305640 | 0.72 | ELANE (0.39) | CNR2CNR1KDM4EALDH1A1PARP1 | |
| SCHEMBL6302641 | 0.71 | CNR2 (0.41) | CNR2CNR1KDM4EALDH1A1PARP1 | |
| SCHEMBL20689240 | 0.71 | TYK2 (0.38) | CNR2CNR1ALDH1A1PARP1ELANE | |
| SCHEMBL15803825 | 0.71 | HTT (0.51) | ALDH1A1PARP1ELANE |
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 |
|---|---|---|---|---|---|---|---|
| US-6949562-B2 | Heterocyclic compounds as ligands of the GABAA receptor | NEUROGEN CORPORATION (US) | 2005-09-27 | — | — | US | disclosed |