Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 15/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.37 |
| ▸ | NPC1L1 | Q9UHC9 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7826160 | 0.90 | CCR5 (0.65) | CCR5HRH3AVPR1ANPC1L1 | |
| SCHEMBL7870851 | 0.89 | CCR5 (0.46) | CCR5HRH3 | |
| SCHEMBL7863011 | 0.86 | CCR5 (0.54) | CCR5 | |
| SCHEMBL7869705 | 0.82 | CCR5 (0.42) | CCR5HRH3 | |
| SCHEMBL7874891 | 0.81 | CCR5 (0.76) | CCR5 | |
| SCHEMBL7870830 | 0.80 | CCR5 (0.82) | CCR5 | |
| SCHEMBL7870825 | 0.80 | CCR5 (0.82) | CCR5 | |
| SCHEMBL7874833 | 0.80 | CCR5 (0.82) | CCR5 | |
| SCHEMBL7868332 | 0.79 | CCR5 (0.56) | CCR5AVPR1A | |
| SCHEMBL8089197 | 0.79 | CCR5 (0.56) | CCR5 |
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-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 |
| WO-2000051608-A1 | 3-THIENYL AND 3-FURANYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |