Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.62 |
| ▸ | CCR3 | P51677 | 1/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.55 |
| ▸ | ABL1 | P00519 | 1/20 | 0.54 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.54 |
| ▸ | DRD2 | P14416 | 1/20 | 0.53 |
| ▸ | DRD4 | P21917 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 1/20 | 0.53 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | MC4R | P32245 | 1/20 | 0.51 |
| ▸ | BCHE | P06276 | 1/20 | 0.51 |
| ▸ | BACE1 | P56817 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL19770184 | 1.00 | ACHE (0.62) | ACHECCR3SIGMAR1ABL1RIN1 | |
| SCHEMBL12538992 | 0.94 | ACHE (0.55) | ACHECCR3ABL1RIN1BCHE | |
| SCHEMBL7779863 | 0.90 | ACHE (0.54) | ACHECCR3ABL1RIN1BCHE | |
| SCHEMBL5980555 | 0.90 | ACHE (0.54) | ACHECCR3ABL1RIN1BCHE | |
| SCHEMBL7775764 | 0.90 | ACHE (0.54) | ACHECCR3ABL1RIN1BCHE | |
| SCHEMBL7775686 | 0.90 | ACHE (0.54) | ACHECCR3ABL1RIN1BCHE | |
| SCHEMBL9216116 | 0.87 | ACHE (0.58) | ACHECCR3SIGMAR1ABL1RIN1 | |
| SCHEMBL7952371 | 0.86 | ACHE (0.66) | ACHECCR3SIGMAR1ABL1RIN1 | |
| SCHEMBL19450643 | 0.86 | ACHE (0.61) | ACHECCR3SIGMAR1DRD2DRD4 | |
| SCHEMBL5228400 | 0.85 | ACHE (0.60) | ACHECCR3SIGMAR1ABL1RIN1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6489354-B1 | IN PARTICULAR, THESE COMPOUNDS ARE USEFUL AS MODULATORS OF THE CHEMOKINE RECEPTORS CCR-3 AND/OR CCR-5 USEFUL IN THE TREATMENT AND PREVENTION OF ATOPIC CONDITIONS INCLUDING ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, AND ASTHMA | MERCK & CO., INC. | 2002-12-03 | — | — | US | disclosed |
| US-6372764-B1 | ANTIINFLAMMATORY AGENTS AND AIDS TREATMENT | MERCK & CO., INC. | 2002-04-16 | — | — | US | disclosed |
| US-6362201-B1 | ANTIINFLAMMATORY AGENTS; ANTIALLERGENS | MERCK & CO., INC. | 2002-03-26 | — | — | US | disclosed |
| 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 |
| WO-2000051610-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |
| WO-2000051607-A1 | 3-CYCLOPROPYL AND 3-CYCLOBUTYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |
| WO-2000051609-A1 | 3-ALKYL SUBSTITUTED PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |