Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.36 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.36 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6302794 | 0.91 | POLB (0.39) | SLC6A4SLC6A2MAOBKDM4EALDH1A1 | |
| SCHEMBL6304261 | 0.80 | KDM4E (0.45) | KDM4EALDH1A1HPGDPARP1HDAC3 | |
| SCHEMBL20945324 | 0.78 | HTR2C (0.44) | SLC6A4SLC6A2HRH1KDM4EALDH1A1 | |
| SCHEMBL6302526 | 0.76 | CNR2 (0.38) | KDM4EALDH1A1PARP1KMT2AMEN1 | |
| SCHEMBL20945145 | 0.76 | PARP1 (0.44) | KDM4EALDH1A1HPGDPARP1ELANE | |
| SCHEMBL19173404 | 0.75 | ALDH1A1 (0.47) | KDM4EALDH1A1HPGDPARP1KMT2A | |
| SCHEMBL13923526 | 0.75 | ELANE (0.46) | KDM4EALDH1A1PARP1KMT2AMEN1 | |
| SCHEMBL12859678 | 0.74 | PARP1 (0.40) | KDM4EALDH1A1PARP1ELANEHDAC3 | |
| SCHEMBL20945039 | 0.74 | DUT (0.36) | KDM4EALDH1A1PARP1KMT2AMEN1 | |
| SCHEMBL12263317 | 0.72 | ITGB1 (0.45) | MAOBKDM4EALDH1A1HPGDBCHE |
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 |