Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | CXCR4 | P61073 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | ESRRA | P11474 | 2/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6633759 | 0.92 | CXCR4 (0.46) | HDAC6HDAC3HDAC4HDAC1HDAC8 | |
| SCHEMBL6634431 | 0.85 | SIGMAR1 (0.54) | CXCR4NPC1RAB9ASIGMAR1EPHX2 | |
| SCHEMBL5163891 | 0.80 | HDAC6 (0.56) | HDAC6HDAC3HDAC4HDAC1HDAC8 | |
| SCHEMBL10764797 | 0.80 | CXCR4 (0.63) | HDAC6HDAC3HDAC4HDAC1HDAC8 | |
| SCHEMBL7603669 | 0.80 | CXCR4 (0.63) | HDAC6HDAC3HDAC4HDAC1HDAC8 | |
| Hydrochloric Acid SCHEMBL31169762 | 0.78 | CXCR4 (0.61) | HDAC6HDAC3HDAC4HDAC1HDAC8 | |
| SCHEMBL10349210 | 0.78 | CXCR4 (0.65) | HDAC6HDAC3HDAC4HDAC1HDAC8 | |
| SCHEMBL6637769 | 0.78 | HRH3 (0.54) | HDAC1CXCR4HTT | |
| SCHEMBL7346202 | 0.76 | GBA1 (0.40) | SIGMAR1 | |
| SCHEMBL14343867 | 0.76 | SLC7A5 (0.37) | NPC1RAB9ASIGMAR1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1165557-B1 | ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS | NEUROGEN CORP (US) | 2004-09-29 | — | — | EP | claimed |