Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.53 |
| ▸ | DRD4 | P21917 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.52 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.49 |
| ▸ | CCR3 | P51677 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4683352 | 0.93 | SIGMAR1 (0.47) | DRD2DRD4DRD3SIGMAR1OPRL1 | |
| SCHEMBL14144433 | 0.76 | SIGMAR1 (0.45) | SIGMAR1OPRL1CCR3 | |
| SCHEMBL13543993 | 0.75 | CCR3 (0.72) | DRD2DRD4DRD3SIGMAR1OPRL1 | |
| SCHEMBL13543973 | 0.72 | OPRL1 (0.79) | DRD2DRD4DRD3SIGMAR1OPRL1 | |
| SCHEMBL4683221 | 0.72 | SLC6A2 (0.50) | CYP3A4 | |
| SCHEMBL24023627 | 0.70 | SIGMAR1 (1.00) | SIGMAR1OPRL1POLBHTTSMN1; SMN2 | |
| SCHEMBL29087368 | 0.70 | SIGMAR1 (0.52) | DRD2DRD4DRD3SIGMAR1OPRL1 | |
| SCHEMBL30596349 | 0.70 | KDM4E (0.70) | DRD2DRD4DRD3SIGMAR1OPRL1 | |
| SCHEMBL4680438 | 0.70 | KDM4E (0.70) | DRD2DRD4DRD3SIGMAR1OPRL1 | |
| SCHEMBL8220836 | 0.69 | OPRL1 (0.56) | DRD2SIGMAR1OPRL1CCR3POLB |
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-7645771-B2 | CCR5 antagonists as therapeutic agents | SMITHKLINE BEECHAM CORP. (US) | 2010-01-12 | — | — | US | disclosed |
| US-7645771-B2 | CCR5 antagonists as therapeutic agents | SMITHKLINE BEECHAM CORP. (US) | 2010-01-12 | — | — | US | disclosed |