Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | LSS | P48449 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | GSR | P00390 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10178754 | 0.80 | HRH3 (0.52) | HRH3TSHRALDH1A1TAAR1LSS | |
| SCHEMBL19389699 | 0.77 | RORC (0.33) | TSHRKCNH2TP53ADORA3CHRM1 | |
| SCHEMBL11019015 | 0.77 | MAPT (0.49) | TSHRALDH1A1TAAR1CYP1A2CYP2C19 | |
| SCHEMBL19333098 | 0.74 | NPC1 (0.33) | KCNH2ADORA3CHRM1DRD3LMNA | |
| SCHEMBL1728531 | 0.73 | HRH3 (0.58) | HRH3TSHRALDH1A1TAAR1LSS | |
| SCHEMBL798094 | 0.73 | HRH3 (0.58) | HRH3TSHRALDH1A1TAAR1LSS | |
| SCHEMBL11320124 | 0.71 | HRH3 (0.61) | HRH3TSHRALDH1A1TAAR1LSS | |
| SCHEMBL659509 | 0.69 | HRH3 (0.82) | HRH3TSHRALDH1A1TAAR1NOS3 | |
| SCHEMBL10178440 | 0.68 | HRH3 (0.52) | HRH3TSHRALDH1A1TAAR1ESR1 | |
| SCHEMBL15125623 | 0.68 | HRH3 (0.71) | HRH3TSHRALDH1A1TAAR1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3910000-A1 | SUSTAINABLE PBT COMPOSITIONS WITH IMPROVED COLOR CAPABILITY USING THE PURIFIED TEREPHTHALIC ACID PROCESS | SHPP Global Technologies B.V. (NL) | 2021-11-17 | — | — | EP | disclosed |