Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 5/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | FAAH | O00519 | 4/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | GMNN | O75496 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11140568 | 0.84 | MEN1 (0.37) | ALDH1A1LMNAMAPTFAAHCNR1 | |
| SCHEMBL20581480 | 0.80 | ALDH1A1 (0.44) | ALDH1A1LMNAMAPK1MAPTCYP1A2 | |
| SCHEMBL4362567 | 0.80 | ALDH1A1 (0.44) | ALDH1A1LMNAMAPK1MAPTCYP1A2 | |
| SCHEMBL20581517 | 0.78 | TSHR (0.44) | ALDH1A1LMNAMAPK1MAPTFAAH | |
| SCHEMBL20581516 | 0.78 | TSHR (0.44) | ALDH1A1LMNAMAPK1MAPTFAAH | |
| SCHEMBL20581736 | 0.78 | ALDH1A1 (0.46) | ALDH1A1LMNAMAPK1MAPTFAAH | |
| SCHEMBL129899 | 0.78 | ALDH1A1 (0.46) | ALDH1A1LMNAMAPK1MAPTFAAH | |
| SCHEMBL2989645 | 0.77 | ALDH1A1 (0.50) | ALDH1A1LMNAMAPK1MAPTFAAH | |
| SCHEMBL1585214 | 0.77 | ALDH1A1 (0.50) | ALDH1A1LMNAMAPK1MAPTFAAH | |
| SCHEMBL2980900 | 0.77 | ALDH1A1 (0.50) | ALDH1A1LMNAMAPK1MAPTFAAH |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4387047-A | Esters of 1,3-dimethyl-but-3-en-1-yl, their utilization as perfuming and flavoring ingredients and compositions containing same | FIRMENICH SA (CH) | 1983-06-07 | — | — | US | claimed |
| EP-0034334-B1 | 1,3-DIMETHYL-BUT-3-EN-1-YL ESTERS, THEIR USE AS PERFUMING OR AROMATIZING CONSTITUENTS; PERFUMING OR AROMATIZING COMPOSITION CONTAINING AT LEAST ONE OF THESE ESTERS | FIRMENICH SA (CH) | 1983-02-09 | — | — | EP | claimed |
| US-4387047-A | Esters of 1,3-dimethyl-but-3-en-1-yl, their utilization as perfuming and flavoring ingredients and compositions containing same | FIRMENICH SA (CH) | 1983-06-07 | — | — | US | disclosed |