Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL8108583 | 0.85 | PSEN1 (0.31) | — | |
| SCHEMBL7563288 | 0.79 | SMN1; SMN2 (0.34) | CYP2C19SMN1; SMN2NPSR1MEN1CYP3A4 | |
| SCHEMBL3027394 | 0.66 | PTGS1 (0.60) | TSHRCYP1A2CYP3A4BCHE | |
| SCHEMBL17284616 | 0.61 | SMN1; SMN2 (0.55) | LMNATSHRCYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL12858731 | 0.60 | SMN1; SMN2 (0.97) | LMNATSHRCYP2C19SMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7382295 | 0.60 | LMNA (0.82) | LMNATSHRCYP2C19SMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL17271755 | 0.60 | SMN1; SMN2 (0.58) | LMNATSHRCYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL17286018 | 0.60 | SMN1; SMN2 (0.50) | LMNATSHRCYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL29104743 | 0.60 | PHLPP2 (0.53) | LMNACYP2C19SMN1; SMN2ALDH1A1GAA | |
| SCHEMBL21835835 | 0.59 | SMN1; SMN2 (0.49) | LMNATSHRCYP2C19SMN1; SMN2ALDH1A1 |
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-6136986-A | REACTING SUBSTITUTED ACROLEIN COMPOUND WITH ACRYLATES, ACROLEINS, ACROLEIN ACETALS, ALLYL ALCOHOLS OR ALLYL ETHERS TO GIVE 3,4-DIHYDRO-2H-PYRANS, REACTING WITH ACID, FOLLOWED BY REACTING WITH SUBSTITUETED VINYL KETONE, DEHYDROGENATION | BASF AKTIENGESELLSCHAFT (DE) | 2000-10-24 | — | — | US | disclosed |