Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.41 |
| ▸ | TACR1 | P25103 | 5/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | AKT2 | P31751 | 1/20 | 0.38 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL28077740 | 0.88 | DRD2 (0.40) | DRD2SLC6A4SLC6A3TACR1SLC6A2 | |
| SCHEMBL3406637 | 0.88 | SLC6A4 (0.47) | DRD2SLC6A4SLC6A3SLC6A2ALDH1A1 | |
| SCHEMBL4003551 | 0.84 | SLC6A4 (0.53) | SLC6A4SLC6A3SLC6A2KCNH2ALDH1A1 | |
| SCHEMBL38042 | 0.83 | TACR1 (0.51) | SLC6A4TACR1KCNH2 | |
| SCHEMBL6191121 | 0.81 | SLC6A4 (0.47) | SLC6A4SLC6A3TACR1SLC6A2KCNH2 | |
| SCHEMBL8042316 | 0.77 | DRD2 (0.55) | DRD2SLC6A4SLC6A3TACR1SLC6A2 | |
| SCHEMBL188283 | 0.77 | SLC6A4 (0.60) | DRD2SLC6A4SLC6A3TACR1SLC6A2 | |
| SCHEMBL3485923 | 0.77 | SLC6A3 (0.68) | DRD2SLC6A4SLC6A3TACR1SLC6A2 | |
| Hydrochloric Acid SCHEMBL23858290 | 0.76 | DRD2 (0.53) | DRD2SLC6A4SLC6A3TACR1SLC6A2 | |
| Hydrochloric Acid SCHEMBL1002809 | 0.76 | SLC6A4 (0.66) | DRD2SLC6A4SLC6A3TACR1SLC6A2 |
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-1448566-A2 | CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2004-08-25 | — | — | EP | disclosed |
| WO-2003045942-A2 | CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2003-06-05 | — | — | WO | disclosed |