Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.44 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7342388 | 0.78 | HDAC8 (0.55) | HDAC2HDAC8HDAC6ALDH1A1MAPT | |
| SCHEMBL2002585 | 0.77 | ESR2 (0.44) | HDAC2HDAC8HDAC6ALDH1A1KDM4E | |
| SCHEMBL6827783 | 0.75 | KDM4E (0.60) | HDAC2HDAC8HDAC6ALDH1A1KDM4E | |
| SCHEMBL28434347 | 0.73 | KDM4E (0.65) | HDAC2HDAC8HDAC6ALDH1A1MAPT | |
| SCHEMBL23751547 | 0.73 | HDAC8 (0.56) | HDAC2HDAC8HDAC6ALDH1A1MAPT | |
| SCHEMBL1993328 | 0.73 | KDM4E (0.57) | HDAC2HDAC8HDAC6ALDH1A1MAPT | |
| SCHEMBL20047185 | 0.73 | NCF1 (0.75) | HDAC2HDAC8HDAC6MAP4K4NCF1 | |
| SCHEMBL28147639 | 0.73 | HSD17B1 (0.68) | CYP11B1CYP11B2SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL14339761 | 0.72 | MAPT (0.48) | HDAC2ALDH1A1MAPTKDM4EPLA2G2A | |
| SCHEMBL2002271 | 0.71 | CYP1A2 (0.49) | ALDH1A1MAPTKDM4ESMN1; SMN2CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1451159-A1 | COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF | NEURO3D (FR) | 2004-09-01 | — | — | EP | disclosed |
| WO-2003010146-A1 | COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF | NEURO3D (FR) | 2003-02-06 | — | — | WO | disclosed |