Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | ERN1 | O75460 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.40 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5018746 | 0.83 | ACACB (0.48) | ACACBRAB9ANPC1POLBCYP2D6 | |
| SCHEMBL29804006 | 0.80 | TAAR1 (0.59) | ACACBRAB9ANPC1POLBCYP2D6 | |
| SCHEMBL14072835 | 0.80 | ACACB (0.49) | ACACBRAB9ANPC1POLBCYP2D6 | |
| SCHEMBL2561330 | 0.80 | TAAR1 (0.59) | ACACBRAB9ANPC1POLBCYP2D6 | |
| SCHEMBL10368509 | 0.80 | CYP2D6 (0.41) | ACACBRAB9ANPC1POLBCYP2D6 | |
| SCHEMBL24443666 | 0.79 | CYP2D6 (0.47) | ACACBRAB9ANPC1POLBCYP2D6 | |
| SCHEMBL13003656 | 0.79 | CYP2D6 (0.47) | ACACBRAB9ANPC1POLBCYP2D6 | |
| SCHEMBL851164 | 0.78 | RAB9A (0.48) | RAB9ANPC1POLBKCNH2CHRM2 | |
| SCHEMBL31338945 | 0.78 | RAB9A (0.48) | RAB9ANPC1POLBKCNH2CHRM2 | |
| SCHEMBL21893190 | 0.78 | TAAR1 (0.45) | ACACBRAB9ANPC1POLBCYP2D6 |
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-2119714-B1 | METHOD OF RETAINING THE QUALITY OF 2-METHYL-3-(3,4-METHYLENEDIOXYPHENYL)PROPANAL AND PROCESS FOR PRODUCING THE SAME | UBE INDUSTRIES (JP) | 2012-12-19 | — | — | EP | disclosed |