Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 3/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 2/20 | 0.38 |
| ▸ | NOS1 | P29475 | 2/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | POLR1A | O95602 | 1/20 | 0.37 |
| ▸ | SCN1A | P35498 | 1/20 | 0.37 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.37 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6302792 | 0.92 | KDM4E (0.47) | KDM4EALDH1A1SMN1; SMN2CNR2CNR1 | |
| SCHEMBL16982382 | 0.81 | CNR2 (0.54) | KDM4EALDH1A1SMN1; SMN2CNR2CNR1 | |
| SCHEMBL6304262 | 0.80 | SLC6A4 (0.40) | KDM4EALDH1A1NOS3NOS1PARP1 | |
| SCHEMBL6302525 | 0.78 | CNR2 (0.48) | KDM4EALDH1A1SMN1; SMN2CNR2CNR1 | |
| SCHEMBL29820590 | 0.78 | PARP1 (0.52) | KDM4EALDH1A1SMN1; SMN2CNR2CNR1 | |
| SCHEMBL15327919 | 0.76 | SMN1; SMN2 (0.54) | KDM4EALDH1A1SMN1; SMN2CNR2CNR1 | |
| SCHEMBL31186279 | 0.76 | KDM4E (0.52) | KDM4EALDH1A1CNR2CNR1NPC1 | |
| SCHEMBL20003608 | 0.75 | ALDH1A1 (0.45) | KDM4EALDH1A1SMN1; SMN2CNR2CNR1 | |
| SCHEMBL6304721 | 0.75 | KDM4E (0.47) | KDM4EALDH1A1SMN1; SMN2CNR2CNR1 | |
| SCHEMBL6305637 | 0.74 | CNR2 (0.48) | KDM4EALDH1A1SMN1; SMN2CNR2CNR1 |
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 |