Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 4/20 | 0.51 |
| ▸ | DRD5 | P21918 | 3/20 | 0.51 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | LIPE | Q05469 | 4/20 | 0.43 |
| ▸ | F10 | P00742 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4435792 | 0.81 | DRD1 (0.58) | DRD1DRD5DRD2DRD3DRD4 | |
| Hydrochloric Acid SCHEMBL4438820 | 0.80 | DRD1 (0.57) | DRD1DRD5DRD2DRD3DRD4 | |
| SCHEMBL20119172 | 0.77 | HDAC6 (0.49) | DRD1DRD5F10MAOAMAOB | |
| SCHEMBL20119483 | 0.77 | DRD1 (0.46) | DRD1DRD5DRD2DRD3DRD4 | |
| SCHEMBL4057707 | 0.76 | DRD1 (0.52) | DRD1DRD5DRD2DRD3DRD4 | |
| SCHEMBL18034987 | 0.75 | DRD1 (0.61) | DRD1DRD5DRD2DRD3DRD4 | |
| Hydrochloric Acid SCHEMBL4563201 | 0.75 | DRD1 (0.53) | DRD1DRD5DRD2DRD3DRD4 | |
| SCHEMBL14340583 | 0.73 | DRD1 (0.88) | DRD1DRD5DRD2DRD3DRD4 | |
| SCHEMBL29515933 | 0.73 | DRD1 (0.88) | DRD1DRD5DRD2DRD3DRD4 | |
| SCHEMBL18034962 | 0.71 | DRD1 (0.60) | DRD1DRD5DRD2DRD3DRD4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018081285-A1 | UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. (US) | 2018-05-03 | — | — | WO | disclosed |