Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 3/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 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 | 0.91 | ELANE (0.40) | CNR2ELANECNR1PARP1BRD4 | |
| SCHEMBL21924444 | 0.81 | ELANE (0.39) | CNR2ELANECNR1PARP1HDAC1 | |
| SCHEMBL6302525 | 0.80 | CNR2 (0.48) | CNR2CNR1PARP1BRD4HDAC1 | |
| SCHEMBL6305640 | 0.80 | ELANE (0.39) | CNR2ELANECNR1PARP1BRD4 | |
| SCHEMBL6302528 | 0.77 | ELANE (0.41) | CNR2ELANECNR1PARP1BRD4 | |
| SCHEMBL6304262 | 0.76 | SLC6A4 (0.40) | ELANEPARP1HDAC1HDAC3HDAC6 | |
| SCHEMBL20945145 | 0.76 | PARP1 (0.44) | CNR2ELANECNR1PARP1HDAC1 | |
| SCHEMBL19173404 | 0.75 | ALDH1A1 (0.47) | CNR2ELANECNR1PARP1HDAC1 | |
| SCHEMBL13923526 | 0.75 | ELANE (0.46) | ELANEPARP1BRD4PKMALDH1A1 | |
| SCHEMBL12859678 | 0.74 | PARP1 (0.40) | CNR2ELANECNR1PARP1BRD4 |
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 |