Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 10/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 5/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7863011 | 0.88 | CCR5 (0.54) | CCR5OPRM1OPRL1KCNH2SIGMAR1 | |
| SCHEMBL7870851 | 0.86 | CCR5 (0.46) | CCR5 | |
| SCHEMBL7863023 | 0.86 | TACR1 (0.45) | CCR5OPRM1OPRL1KCNH2SIGMAR1 | |
| SCHEMBL7871296 | 0.81 | CCR5 (0.72) | CCR5 | |
| SCHEMBL7871136 | 0.80 | CCR5 (0.53) | CCR5 | |
| SCHEMBL7874905 | 0.78 | CCR5 (0.46) | CCR5 | |
| SCHEMBL7863092 | 0.78 | CCR5 (0.46) | CCR5 | |
| SCHEMBL7869886 | 0.78 | CCR5 (0.61) | CCR5 | |
| SCHEMBL7869882 | 0.78 | CCR5 (0.61) | CCR5 | |
| SCHEMBL7874862 | 0.77 | CCR5 (0.46) | 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 |