Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.51 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | CXCR4 | P61073 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.40 |
| ▸ | ESRRA | P11474 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.39 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5872370 | 0.91 | CXCR4 (0.47) | HDAC6HDAC3HDAC4HDAC1HDAC8 | |
| SCHEMBL3972856 | 0.90 | HDAC6 (0.55) | HDAC6HDAC3HDAC4HDAC1HDAC8 | |
| SCHEMBL7603669 | 0.81 | CXCR4 (0.63) | HDAC6HDAC3HDAC4HDAC1HDAC8 | |
| SCHEMBL10764797 | 0.81 | CXCR4 (0.63) | HDAC6HDAC3HDAC4HDAC1HDAC8 | |
| SCHEMBL6667025 | 0.80 | HDAC6 (0.48) | HDAC6HDAC3HDAC4HDAC1HDAC8 | |
| Hydrochloric Acid SCHEMBL31169762 | 0.80 | CXCR4 (0.61) | HDAC6HDAC3HDAC4HDAC1HDAC8 | |
| SCHEMBL3861590 | 0.80 | HDAC6 (0.62) | HDAC6HDAC3HDAC4HDAC1HDAC8 | |
| SCHEMBL10349210 | 0.79 | CXCR4 (0.65) | HDAC6HDAC3HDAC4HDAC1HDAC8 | |
| SCHEMBL8041968 | 0.79 | SMN1; SMN2 (0.65) | HDAC6HDAC3HDAC4HDAC1HDAC8 | |
| SCHEMBL18088394 | 0.79 | RAB9A (0.60) | HDAC6HDAC3HDAC4HDAC1HDAC8 |
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-1765803-A1 | QUATERNARY SALT CCR2 ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-03-28 | — | — | EP | disclosed |
| WO-2006012135-A1 | QUATERNARY SALT CCR2 ANTAGONISTS | JANSSEN PHARMACEUTICA, N. V. (BE) | 2006-02-02 | — | — | WO | disclosed |