Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 5/20 | 0.63 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.62 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.61 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.61 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.61 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.61 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.61 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.61 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.61 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.61 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.61 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.61 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.61 |
| ▸ | TNKS | O95271 | 1/20 | 0.61 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.61 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.61 |
| ▸ | MMP1 | P03956 | 2/20 | 0.55 |
| ▸ | MMP2 | P08253 | 2/20 | 0.55 |
| ▸ | MMP9 | P14780 | 2/20 | 0.55 |
| ▸ | MAOA | P21397 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL79651 | 1.00 | NFE2L2 (0.63) | NFE2L2NPSR1HDAC3HDAC4HDAC1 | |
| SCHEMBL30337035 | 1.00 | NFE2L2 (0.63) | NFE2L2NPSR1HDAC3HDAC4HDAC1 | |
| SCHEMBL79650 | 1.00 | NFE2L2 (0.63) | NFE2L2NPSR1HDAC3HDAC4HDAC1 | |
| Guanidine SCHEMBL7159047 | 0.90 | NPSR1 (0.57) | NFE2L2NPSR1HDAC3HDAC4HDAC1 | |
| Guanidine SCHEMBL7159042 | 0.90 | NPSR1 (0.57) | NFE2L2NPSR1HDAC3HDAC4HDAC1 | |
| SCHEMBL27746163 | 0.87 | NFE2L2 (0.57) | NFE2L2NPSR1HDAC3HDAC4HDAC1 | |
| SCHEMBL5598783 | 0.86 | NFE2L2 (0.65) | NFE2L2MMP1MMP2MMP9MAOA | |
| SCHEMBL5598785 | 0.86 | NFE2L2 (0.65) | NFE2L2MMP1MMP2MMP9MAOA | |
| SCHEMBL271386 | 0.86 | NPSR1 (0.74) | NPSR1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL69146 | 0.86 | NPSR1 (0.74) | NPSR1HDAC3HDAC4HDAC1HDAC7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6498161-B1 | TREATING INFECTION BY HIV; DELAYING OF THE ONSET OF AIDS; ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS OR RHEUMATOID ARTHRITIS | MERCK & CO., INC. | 2002-12-24 | — | — | US | disclosed |
| WO-2000076513-A1 | CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-12-21 | — | — | WO | disclosed |
| WO-2000059498-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |