Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | DRD1 | P21728 | 2/20 | 0.34 |
| ▸ | DRD4 | P21917 | 2/20 | 0.34 |
| ▸ | DRD5 | P21918 | 2/20 | 0.34 |
| ▸ | DRD3 | P35462 | 2/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16856434 | 0.85 | HPGD (0.36) | HSD17B10HPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16851256 | 0.84 | USP2 (0.44) | HSD17B10HPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16851189 | 0.80 | HSD17B10 (0.34) | HSD17B10HPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6860121 | 0.79 | AKR1B1 (0.43) | CYP1A2KMT2AAKR1B1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9153498 | 0.78 | HPGD (0.48) | HSD17B10HPGDSMN1; SMN2ALDH1A1HTT | |
| SCHEMBL6860296 | 0.75 | RORC (0.39) | HSD17B10KMT2AITGB3ITGA2BRORC | |
| SCHEMBL25072496 | 0.73 | MIF (0.33) | HPGDCYP1A2CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL16851484 | 0.73 | RORC (0.56) | RORC | |
| SCHEMBL90825 | 0.72 | AR (0.51) | HSD17B10CYP3A4DRD2DRD1DRD4 | |
| SCHEMBL34474543 | 0.70 | TDP1 (0.41) | HSD17B10HPGDCYP1A2CYP2C9CYP2C19 |
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-2015095792-A1 | CARBAMATE BENZOXAXINE PROPIONIC ACIDS AND ACID DERIVATIVES FOR MODULATION OF RORGAMMA ACTIVITY AND THE TREATMENT OF DISEASE | MERCK SHARP & DOHME CORP. (US) | 2015-06-25 | — | — | WO | disclosed |