Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.46 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.44 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | PTGES2 | Q9H7Z7 | 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 | |
|---|---|---|---|---|
| SCHEMBL15983796 | 0.88 | LMNA (0.49) | KDM4EL3MBTL1LMNAPOLBKMT2A | |
| SCHEMBL8936110 | 0.86 | SSTR4 (0.46) | KDM4ELMNAALDH1A1HPGDCTBP2 | |
| SCHEMBL28829399 | 0.85 | KDM4E (0.49) | KDM4EL3MBTL1LMNAALDH1A1HPGD | |
| SCHEMBL2441619 | 0.85 | SSTR4 (0.44) | KDM4ELMNAALDH1A1HPGDCTBP2 | |
| SCHEMBL28084303 | 0.85 | NR3C2 (0.50) | KDM4ELMNAALDH1A1HPGDCTBP2 | |
| SCHEMBL24915810 | 0.82 | KDM4E (0.46) | KDM4EL3MBTL1LMNAALDH1A1HPGD | |
| SCHEMBL29665696 | 0.81 | BLM (0.50) | KDM4ELMNAALDH1A1HPGDCTBP2 | |
| SCHEMBL3958354 | 0.81 | CYP1A2 (0.45) | KDM4ELMNAALDH1A1HPGDCTBP2 | |
| SCHEMBL2444705 | 0.81 | SSTR4 (0.43) | KDM4ELMNAALDH1A1HPGDCTBP2 | |
| SCHEMBL1114878 | 0.81 | AKR1B1 (0.53) | KDM4EL3MBTL1LMNAPOLBTSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022103752-A1 | RAPID CONSTRUCTION OF TETRALIN, CHROMANE, AND INDANE MOTIFS VIA CYCLATIVE C-H/C-H COUPLING | THE SCRIPPS RESEARCH INSTITUTE (US) | 2022-05-19 | — | — | WO | disclosed |
| EP-2065360-B1 | Use of 3-methylbenzyl isobutyrate as a fragrance compound | SYMRISE AG (DE) | 2013-06-19 | — | — | EP | disclosed |
| EP-2065360-A2 | 3-methylbenzyl isobutyrate | Symrise GmbH & Co. KG (DE) | 2009-06-03 | — | — | EP | disclosed |
| EP-1747186-B1 | Fragrant composition comprising 3-methylbenzyl-isobutyrat | SYMRISE GMBH & CO KG (DE) | 2009-03-11 | — | — | EP | disclosed |
| EP-1747186-A1 | 3-METHYLBENZYL-ISOBUTYRAT | Symrise GmbH & Co. KG (DE) | 2007-01-31 | — | — | EP | disclosed |
| WO-2005110967-A1 | 3-METHYLBENZYL-ISOBUTYRAT | SYMRISE GMBH & CO. KG (DE) | 2005-11-24 | — | — | WO | disclosed |