Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR3 | P51677 | 1/20 | 0.59 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.56 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.54 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.54 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.54 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.54 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.54 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.54 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.54 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.54 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL7875195 | 0.84 | SIGMAR1 (0.47) | GRIN2DGRIN3BADRA1DADRA1AADRA1B | |
| SCHEMBL27616228 | 0.83 | CCR3 (0.61) | CCR3CXCR4ACHEALDH1A1 | |
| SCHEMBL7869991 | 0.82 | CCR3 (0.59) | CCR3CXCR4ACHEALDH1A1 | |
| SCHEMBL7683729 | 0.81 | CCR3 (0.55) | CCR3CXCR4ACHE | |
| SCHEMBL7687976 | 0.80 | CCR3 (0.61) | CCR3CXCR4ACHE | |
| SCHEMBL8245441 | 0.80 | ACHE (0.67) | CCR3CXCR4ACHEALDH1A1 | |
| Hydrochloric Acid SCHEMBL7683518 | 0.79 | BCHE (0.60) | CCR3CXCR4ACHE | |
| SCHEMBL7931941 | 0.78 | ACHE (0.62) | ACHEALDH1A1 | |
| SCHEMBL1475303 | 0.77 | CCR3 (0.54) | CCR3CXCR4ALDH1A1 | |
| SCHEMBL349053 | 0.77 | CCR3 (0.71) | CCR3CXCR4ACHEALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6303593-B1 | FOR THERAPY HUMAN IMMUNODEFICIENCY VIRUS INFECTION, AQUIRED IMMUNODEFICIENCY SYNDROME (AIDS), INFLAMMATORY AND IMMUNOREGULATORY DISORDER OR DISEASE, ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS | MERCK & CO., INC. | 2001-10-16 | — | — | US | disclosed |
| WO-2000051608-A1 | 3-THIENYL AND 3-FURANYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |