Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNAO1 | P09471 | 7/20 | 0.50 |
| ▸ | GNAI3 | P08754 | 6/20 | 0.50 |
| ▸ | GNAI1 | P63096 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.41 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27341513 | 0.93 | GNAO1 (0.45) | GNAO1GNAI3GNAI1ALDH1A1KMT2A | |
| SCHEMBL26102611 | 0.85 | ALDH1A1 (0.47) | ALDH1A1KMT2AGPR84DAGLAFFAR4 | |
| SCHEMBL8829754 | 0.82 | ALDH1A1 (0.59) | ALDH1A1KMT2AGPR84DAGLAFFAR4 | |
| SCHEMBL24108682 | 0.82 | ALDH1A1 (0.59) | ALDH1A1KMT2AGPR84DAGLAFFAR4 | |
| SCHEMBL22857493 | 0.81 | GNAO1 (0.47) | GNAO1GNAI3GNAI1 | |
| SCHEMBL5809132 | 0.81 | GNAO1 (0.47) | GNAO1GNAI3GNAI1 | |
| SCHEMBL7157130 | 0.79 | CYP2D6 (0.49) | GNAO1GNAI3GNAI1ALDH1A1KMT2A | |
| SCHEMBL7157133 | 0.79 | CYP2D6 (0.49) | GNAO1GNAI3GNAI1ALDH1A1KMT2A | |
| SCHEMBL11256485 | 0.77 | CPN1 (0.43) | GNAO1GNAI3GNAI1 | |
| SCHEMBL6866119 | 0.74 | ALDH1A1 (0.51) | ALDH1A1KMT2A |
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 7 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-2000051609-A1 | 3-ALKYL SUBSTITUTED PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | 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-2000051607-A1 | 3-CYCLOPROPYL AND 3-CYCLOBUTYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |