Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | CDK4 | P11802 | 1/20 | 0.47 |
| ▸ | CCND1 | P24385 | 1/20 | 0.47 |
| ▸ | SNCA | P37840 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.46 |
| ▸ | NCOR2 | Q9Y618 | 4/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SIRT1 | Q96EB6 | 3/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | NAMPT | P43490 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6657565 | 0.90 | CXCR4 (0.47) | CXCR4KMT2AMEN1CDK4CCND1 | |
| Tryptamine SCHEMBL6670107 | 0.88 | CXCR4 (0.47) | CXCR4KMT2ACDK4CCND1SNCA | |
| SCHEMBL27566493 | 0.84 | CXCR4 (0.55) | CXCR4KMT2AMEN1NPC1RAB9A | |
| SCHEMBL6018215 | 0.84 | CXCR4 (0.55) | CXCR4KMT2AMEN1NPC1RAB9A | |
| SCHEMBL6657094 | 0.82 | MMP2 (0.44) | KMT2AMEN1CDK4CCND1HDAC3 | |
| SCHEMBL6019208 | 0.82 | MMP2 (0.42) | KMT2AMEN1MMP2MMP9MMP8 | |
| SCHEMBL27616554 | 0.82 | CXCR4 (0.54) | CXCR4KMT2ANPC1RAB9A | |
| SCHEMBL6018126 | 0.82 | CXCR4 (0.54) | CXCR4KMT2ANPC1RAB9A | |
| SCHEMBL6654299 | 0.80 | CXCR4 (0.47) | CXCR4KMT2AMEN1CDK4CCND1 | |
| SCHEMBL6018244 | 0.79 | CXCR4 (0.51) | CXCR4KMT2AMEN1NPC1RAB9A |
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-7098215-B2 | Nitrogenous compounds and antiviral drugs containing the same | KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) | 2006-08-29 | — | — | US | disclosed |