Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | PPARA | Q07869 | 3/20 | 0.43 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6778826 | 0.87 | FFAR1 (0.61) | BLML3MBTL1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL27925093 | 0.85 | ESR1 (0.56) | BLML3MBTL1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL6668736 | 0.83 | BLM (0.52) | BLML3MBTL1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL12659250 | 0.83 | HPGD (0.44) | BLMHPGDSMN1; SMN2CTBP2SRD5A2 | |
| SCHEMBL11596247 | 0.83 | BLM (0.67) | BLMKDM4EHPGDTDP1CYP1A2 | |
| SCHEMBL8951998 | 0.83 | HPGD (0.44) | BLML3MBTL1HPGDSMN1; SMN2CTBP2 | |
| SCHEMBL517462 | 0.83 | SMN1; SMN2 (0.57) | BLMCYP2C9SMN1; SMN2PPARACYP1A2 | |
| SCHEMBL23582821 | 0.82 | CA2 (0.52) | BLMKDM4EHPGDSMN1; SMN2PPARA | |
| SCHEMBL5394972 | 0.82 | PPARG (0.49) | BLMKDM4ECYP2C9HPGDPPARA | |
| SCHEMBL8494644 | 0.82 | SLC13A5 (0.50) | BLMSMN1; SMN2SRD5A2RAB9APTGES2 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2065360-B1 | Use of 3-methylbenzyl isobutyrate as a fragrance compound | SYMRISE AG (DE) | 2013-06-19 | — | — | EP | disclosed |
| EP-2206749-B1 | PHTHALOCYANINE COMPOUND | NISSAN CHEMICAL IND LTD (JP) | 2012-11-21 | — | — | EP | disclosed |
| US-8304536-B2 | Phthalocyanine compound | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2012-11-06 | — | — | US | disclosed |
| US-8304536-B2 | Phthalocyanine compound | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2012-11-06 | — | — | US | disclosed |
| CN-101448791-B | Fxr agonists | LILLY CO ELI | 2011-11-16 | — | — | CN | disclosed |
| US-20100228021-A1 | PHTHALOCYANINE COMPOUND | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2010-09-09 | — | — | US | disclosed |
| US-20100228021-A1 | PHTHALOCYANINE COMPOUND | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2010-09-09 | — | — | US | disclosed |
| EP-2206749-A1 | PHTHALOCYANINE COMPOUND | Nissan Chemical Industries, Ltd. (JP) | 2010-07-14 | — | — | 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 |
| US-7253158-B2 | Sulfonamides | HOFFMANN-LA ROCHE INC. (US) | 2007-08-07 | — | — | US | disclosed |
| EP-1747186-A1 | 3-METHYLBENZYL-ISOBUTYRAT | Symrise GmbH & Co. KG (DE) | 2007-01-31 | — | — | EP | disclosed |
| WO-2006005486-A1 | SULFONAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-01-19 | — | — | WO | disclosed |
| WO-2005110967-A1 | 3-METHYLBENZYL-ISOBUTYRAT | SYMRISE GMBH & CO. KG (DE) | 2005-11-24 | — | — | WO | disclosed |
| EP-0292889-B1 | BENZALDEHYDE DERIVATIVES, THEIR PREPARATION AND USE | BASF Aktiengesellschaft (DE) | 1992-09-02 | — | — | EP | disclosed |
| EP-0292889-A2 | Benzaldehyde derivatives, their preparation and use | BASF Aktiengesellschaft (DE) | 1988-11-30 | — | — | EP | disclosed |
| US-4166131-A | ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANTIARTHRITIC AGENT | HEXACHIMIE SOCIETE ANONYME (FR) | 1979-08-28 | — | — | US | disclosed |