Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7869817 | 1.00 | ALDH1A1 (0.33) | ALDH1A1SMN1; SMN2DRD2DRD3OPRM1 | |
| SCHEMBL7868383 | 0.79 | CCR5 (0.42) | DRD2DRD3 | |
| SCHEMBL7868380 | 0.79 | CCR5 (0.42) | DRD2DRD3 | |
| SCHEMBL7868518 | 0.79 | CCR5 (0.42) | DRD2DRD3 | |
| SCHEMBL7503744 | 0.78 | OPRM1 (0.33) | ALDH1A1DRD3OPRM1 | |
| SCHEMBL7498710 | 0.78 | OPRM1 (0.33) | ALDH1A1DRD3OPRM1 | |
| SCHEMBL7509915 | 0.75 | HSD17B10 (0.38) | ALDH1A1 | |
| SCHEMBL7497301 | 0.72 | MCHR1 (0.30) | — | |
| SCHEMBL7497295 | 0.72 | MCHR1 (0.30) | — | |
| SCHEMBL7652996 | 0.69 | — | — |
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 | disclosed |
| WO-2000051608-A1 | 3-THIENYL AND 3-FURANYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |