Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | NSD2 | O96028 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.32 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.32 |
| ▸ | BRD4 | O60885 | 2/20 | 0.32 |
| ▸ | BRD2 | P25440 | 1/20 | 0.32 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.32 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6304723 | 0.83 | ELANE (0.40) | ELANEPARP1PKMCNR2HDAC3 | |
| SCHEMBL6302527 | 0.80 | KDM4E (0.49) | CNR2BRD4BRD2BRD3BRDT | |
| SCHEMBL6305640 | 0.78 | ELANE (0.39) | ELANEPARP1PKMCNR2HDAC3 | |
| SCHEMBL15803825 | 0.77 | HTT (0.51) | ELANEPARP1PKMBRD4ALDH1A1 | |
| SCHEMBL6302526 | 0.77 | CNR2 (0.38) | ELANEPARP1PKMCNR2HDAC3 | |
| SCHEMBL20945124 | 0.76 | DRD2 (0.44) | ELANE | |
| SCHEMBL20945157 | 0.75 | PARP1 (0.47) | ELANEPARP1CNR2BRD4BRD2 | |
| SCHEMBL20697298 | 0.73 | PARP1 (0.46) | ELANEPARP1PKMBRD4BRD2 | |
| SCHEMBL20945324 | 0.72 | HTR2C (0.44) | ELANEPARP1KDM4EALDH1A1 | |
| SCHEMBL15803908 | 0.72 | PARP1 (0.40) | ELANEPARP1PKMNSD2BRD4 |
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 |