Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 7/20 | 0.55 |
| ▸ | DRD3 | P35462 | 7/20 | 0.55 |
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | ACHE | P22303 | 3/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.48 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 2/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | DRD5 | P21918 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21783600 | 0.88 | DRD2 (0.54) | DRD2DRD3CA1CA2ACHE | |
| SCHEMBL2478321 | 0.85 | CYP26A1 (0.49) | DRD2DRD3CA1CA2ACHE | |
| SCHEMBL13942627 | 0.79 | S1PR1 (0.48) | DRD2DRD3 | |
| SCHEMBL2474929 | 0.79 | CA1 (0.46) | DRD2DRD3CA1CA2ACHE | |
| SCHEMBL19900934 | 0.78 | DRD2 (0.87) | DRD2DRD3CA1CA2ACHE | |
| SCHEMBL30416676 | 0.78 | DRD2 (0.87) | DRD2DRD3CA1CA2ACHE | |
| SCHEMBL264631 | 0.78 | DRD2 (0.87) | DRD2DRD3CA1CA2ACHE | |
| Hydrochloric Acid SCHEMBL2991649 | 0.76 | DRD2 (0.84) | DRD2DRD3CA1CA2ACHE | |
| Hydrochloric Acid SCHEMBL30298168 | 0.76 | DRD2 (0.84) | DRD2DRD3CA1CA2ACHE | |
| Hydrochloric Acid SCHEMBL30298163 | 0.76 | DRD2 (0.84) | DRD2DRD3CA1CA2ACHE |
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 |
|---|---|---|---|---|---|---|---|
| EP-2364089-A1 | HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS | Biogen Idec MA Inc. (US) | 2011-09-14 | — | — | EP | disclosed |
| WO-2010051031-A1 | HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS | BIOGEN IDEC MA INC. (US) | 2010-05-06 | — | — | WO | disclosed |