Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 14/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7874854 | 1.00 | CCR5 (0.43) | CCR5POLBKMT2ACHRM2CHRM3 | |
| SCHEMBL7871264 | 0.84 | CCR5 (0.53) | CCR5 | |
| SCHEMBL7868423 | 0.84 | CCR5 (0.43) | CCR5POLBKMT2A | |
| SCHEMBL7874917 | 0.82 | CCR5 (0.42) | CCR5POLBKMT2ACHRM2CHRM3 | |
| SCHEMBL7863129 | 0.81 | CCR5 (0.66) | CCR5 | |
| SCHEMBL7872014 | 0.80 | CCR5 (0.42) | CCR5KMT2A | |
| SCHEMBL7871045 | 0.80 | CCR5 (0.42) | CCR5 | |
| SCHEMBL7870913 | 0.80 | CCR5 (0.48) | CCR5 | |
| SCHEMBL7870915 | 0.80 | CCR5 (0.48) | CCR5 | |
| SCHEMBL7863023 | 0.79 | TACR1 (0.45) | CCR5ALDH1A1 |
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 | claimed |
| 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 |