Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CPT2 | P23786 | 1/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17773058 | 0.82 | HMGCR (0.41) | HMGCRCHRM1TBXA2RADRA1ATSHR | |
| SCHEMBL22384018 | 0.79 | HMGCR (0.48) | HMGCRCHRM1TBXA2RADRA1ATSHR | |
| SCHEMBL17772933 | 0.79 | HMGCR (0.48) | HMGCRCHRM1TBXA2RADRA1ATSHR | |
| SCHEMBL4247087 | 0.77 | HMGCR (0.41) | HMGCRCHRM1TBXA2RADRA1ATSHR | |
| SCHEMBL17773061 | 0.77 | HMGCR (0.41) | HMGCRCHRM1TBXA2RADRA1ATSHR | |
| SCHEMBL3380118 | 0.77 | HMGCR (0.50) | HMGCRCHRM1TBXA2RADRA1ATSHR | |
| SCHEMBL23308927 | 0.71 | — | — | |
| SCHEMBL27994099 | 0.71 | HMGCR (0.40) | HMGCRCHRM1TBXA2RADRA1ATSHR | |
| SCHEMBL19737215 | 0.71 | HMGCR (0.39) | HMGCRCHRM1TBXA2RADRA1ATSHR | |
| SCHEMBL10207226 | 0.70 | TSHR (0.36) | HMGCRCHRM1TBXA2RADRA1ATSHR |
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-2016081522-A1 | NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY | RHODE ISLAND HOSPITAL (US) | 2016-05-26 | — | — | WO | disclosed |