Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | LIG1 | P18858 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | SETDB1 | Q15047 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11112128 | 0.77 | ADRA2A (0.43) | ADRA2AADRA2BADRA2CPOLBLIG1 | |
| SCHEMBL9375911 | 0.75 | MMP13 (0.43) | ADRA2AADRA2BADRA2CPOLBALDH1A1 | |
| SCHEMBL10460203 | 0.74 | MAPT (0.42) | ADRA2AADRA2BADRA2CPOLBALDH1A1 | |
| SCHEMBL9321659 | 0.71 | MGLL (0.56) | ADRA2AADRA2BADRA2CPOLBLIG1 | |
| SCHEMBL11437152 | 0.69 | SMN1; SMN2 (0.45) | SMN1; SMN2ADRA2AADRA2BADRA2CPOLB | |
| SCHEMBL15882462 | 0.68 | TSHR (0.46) | ADRA2AADRA2BADRA2CLIG1ALDH1A1 | |
| SCHEMBL9172694 | 0.68 | NOTUM (0.45) | SMN1; SMN2NOTUMPOLBALDH1A1KDM4E | |
| SCHEMBL15881097 | 0.68 | SETDB1 (0.52) | ADRA2AADRA2BADRA2CPOLBLIG1 | |
| 1,2-Diallyloxybenzene SCHEMBL29768784 | 0.68 | HPGD (0.60) | ADRA2AADRA2BADRA2CLIG1ALDH1A1 | |
| 1,2-Diallyloxybenzene SCHEMBL366516 | 0.68 | HPGD (0.60) | ADRA2AADRA2BADRA2CLIG1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4847388-A | Polycyclic unsaturated ethers and esters | SHELL OIL COMPANY (US) | 1989-07-11 | — | — | US | claimed |