Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 9/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1206261 | 0.82 | HDAC6 (0.59) | RORCHDAC8HDAC6TRPV1CA12 | |
| SCHEMBL27611454 | 0.82 | RORC (0.65) | RORCHDAC6TRPV1CA12CA1 | |
| SCHEMBL12894415 | 0.80 | CXCR4 (0.55) | RORCCA12CA9BDKRB2 | |
| SCHEMBL1207206 | 0.80 | RORC (0.44) | RORC | |
| SCHEMBL1206752 | 0.79 | MEN1 (0.45) | RORCTRPV1CA12CA9BDKRB2 | |
| SCHEMBL1205947 | 0.78 | NAMPT (0.58) | RORCHDAC6HDAC1 | |
| SCHEMBL1206643 | 0.74 | CXCR4 (0.51) | RORCHDAC8HDAC6TRPV1CA12 | |
| SCHEMBL12894119 | 0.74 | MCHR1 (0.46) | RORCHDAC8HDAC6TRPV1CA12 | |
| SCHEMBL1205268 | 0.74 | CXCR4 (0.51) | RORCHDAC8HDAC6TRPV1CA12 | |
| SCHEMBL1206565 | 0.74 | RORC (0.47) | RORCHDAC1HDAC2 |
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-7833991-B2 | For use as antimetastatic agent or antiviral agent for HIV infection; N-(4-dipropylaminomethylphenyl)-4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzamide; chemokine receptor CXCR4 antagonists | KUREHA CORPORATION (JP) | 2010-11-16 | — | — | US | disclosed |