Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 2/20 | 0.61 |
| ▸ | ACHE | P22303 | 6/20 | 0.60 |
| ▸ | BCHE | P06276 | 3/20 | 0.60 |
| ▸ | CCR3 | P51677 | 1/20 | 0.59 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.58 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.54 |
| ▸ | DRD2 | P14416 | 1/20 | 0.53 |
| ▸ | DRD4 | P21917 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CXCR4 | P61073 | 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 | |
|---|---|---|---|---|
| SCHEMBL8552311 | 0.84 | CCR3 (0.63) | GRIN2BACHECCR3GRIN2ADRD2 | |
| SCHEMBL7847536 | 0.83 | ACHE (0.58) | ACHEBCHECCR3DRD2DRD4 | |
| Hydrochloric Acid SCHEMBL8550641 | 0.83 | CCR3 (0.61) | GRIN2BACHEBCHECCR3GRIN2A | |
| Hydrochloric Acid SCHEMBL7846888 | 0.82 | ACHE (0.57) | ACHEBCHECCR3 | |
| SCHEMBL15140944 | 0.82 | CCR3 (0.73) | ACHEBCHECCR3ALDH1A1CXCR4 | |
| SCHEMBL14519867 | 0.81 | CCR3 (0.58) | ACHEBCHECCR3ALDH1A1CXCR4 | |
| SCHEMBL3107807 | 0.80 | CCR3 (0.71) | ACHEBCHECCR3DRD2ALDH1A1 | |
| SCHEMBL24404498 | 0.79 | CCR3 (0.69) | ACHEBCHECCR3DRD2 | |
| SCHEMBL4499901 | 0.79 | CCR3 (0.69) | ACHEBCHECCR3DRD2ALDH1A1 | |
| SCHEMBL4499239 | 0.79 | CCR3 (0.69) | ACHEBCHECCR3DRD2ALDH1A1 |
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-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 |