Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.45 |
| ▸ | TACR2 | P21452 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | SHBG | P04278 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.45 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL18533188 | 0.83 | THRA (0.49) | CYP3A4CYP2D6CYP2C9ESR1ADRA2A | |
| SCHEMBL21913825 | 0.76 | FAAH (0.39) | KDM4EALDH1A1LMNAEGFRMEN1 | |
| SCHEMBL15766487 | 0.75 | THRA (0.53) | CYP3A4ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL20039714 | 0.74 | THRA (0.55) | CYP3A4CYP2D6CYP2C9ESR1ADRA2A | |
| SCHEMBL19855418 | 0.74 | THRB (0.60) | CYP3A4ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL177586 | 0.73 | ALDH1A1 (0.57) | CYP3A4ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL27621916 | 0.73 | ALDH1A1 (0.57) | CYP3A4ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL15796086 | 0.73 | ALDH1A1 (0.57) | CYP3A4ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL19034263 | 0.72 | CA1 (0.46) | CYP3A4CYP2D6CYP2C9ESR1ADRA2A | |
| SCHEMBL2093851 | 0.71 | THRB (0.49) | CYP3A4ESR1ADRA2AADORA3TACR2 |
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-2020162156-A1 | COMPOUND AND LIGHT EMITTING ELEMENT USING SAME | 住友化学株式会社 | 2020-08-13 | — | — | WO | disclosed |