Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | DRD2 | P14416 | 10/20 | 0.52 |
| ▸ | DRD4 | P21917 | 10/20 | 0.52 |
| ▸ | DRD3 | P35462 | 10/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7546021 | 0.85 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2D6SMN1; SMN2 | |
| SCHEMBL7544174 | 0.83 | DRD2 (0.58) | CYP1A2CYP3A4CYP2D6DRD2DRD4 | |
| Benzpiperylon SCHEMBL24498 | 0.73 | CYP1A2 (1.00) | CYP1A2CYP3A4CYP2D6DRD2DRD4 | |
| SCHEMBL5058661 | 0.70 | KDM4E (0.57) | CYP3A4SMN1; SMN2 | |
| SCHEMBL8786997 | 0.68 | DRD2 (1.00) | DRD2DRD4DRD3OPRL1OPRM1 | |
| SCHEMBL3248421 | 0.68 | DRD2 (0.70) | DRD2DRD4DRD3OPRL1OPRM1 | |
| SCHEMBL3075361 | 0.67 | OPRL1 (0.66) | DRD2DRD4DRD3RECQLSMN1; SMN2 | |
| SCHEMBL3063295 | 0.67 | CHRM3 (0.59) | CYP3A4CYP2D6DRD2DRD4DRD3 | |
| SCHEMBL3063714 | 0.67 | CHRM2 (0.63) | DRD2DRD4DRD3RECQLSMN1; SMN2 | |
| SCHEMBL4257757 | 0.67 | ACHE (0.69) | DRD2DRD4DRD3ACHE |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1171122-A4 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2002-05-29 | — | — | EP | disclosed |
| EP-1171122-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2002-01-16 | — | — | EP | disclosed |
| US-6248755-B1 | ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES | MERCK & CO., INC. | 2001-06-19 | — | — | US | disclosed |
| WO-2000059502-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |