Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Aus-131. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 2/20 | 0.58 |
| ▸ | ESR1 | P03372 | 2/20 | 0.58 |
| ▸ | TTR | P02766 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.53 |
| ▸ | NPC1 | O15118 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | RAB9A | P51151 | 5/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | ALDH2 | P05091 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | MAOA | P21397 | 3/20 | 0.46 |
| ▸ | MAOB | P27338 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Daidzein SCHEMBL3151489 | 0.89 | KDM4E (0.61) | ESR1ESR2TTRKDM4ENPC1 | |
| Genistein SCHEMBL2436164 | 0.83 | SMN1; SMN2 (0.56) | ESR1ESR2TTRKDM4ENPC1 | |
| Genistein SCHEMBL2432437 | 0.81 | MAPT (0.61) | ESR1ESR2TTRKDM4ENPC1 | |
| SCHEMBL4360255 | 0.76 | ESR2 (0.82) | ESR1ESR2TTRKDM4EALDH1A1 | |
| SCHEMBL30459494 | 0.76 | ESR2 (0.82) | ESR1ESR2TTRKDM4EALDH1A1 | |
| SCHEMBL30720187 | 0.76 | ESR2 (0.82) | ESR1ESR2TTRKDM4EALDH1A1 | |
| Aus-131 SCHEMBL677723 | 0.76 | ESR2 (1.00) | ESR1ESR2TTRKDM4EALDH1A1 | |
| Aus-131 SCHEMBL43648 | 0.76 | ESR2 (1.00) | ESR1ESR2TTRKDM4EALDH1A1 | |
| Aus-131 SCHEMBL2002128 | 0.76 | ESR2 (1.00) | ESR1ESR2TTRKDM4EALDH1A1 | |
| Aus-131 SCHEMBL29467332 | 0.76 | ESR2 (1.00) | ESR1ESR2TTRKDM4EALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2898923-A2 | Isoflavones for regulating sirtuin gene expression | Nestec S.A. (CH) | 2015-07-29 | — | — | EP | claimed |
| EP-2898923-A2 | Isoflavones for regulating sirtuin gene expression | Nestec S.A. (CH) | 2015-07-29 | — | — | EP | disclosed |
| US-20120251511-A1 | COMPOSITION AND PRODUCTS FOR ENABLING THE PRODUCTION OF EQUOL IN VIVO | MURPHY ERIC DONALD (US) | 2012-10-04 | — | — | US | disclosed |
| WO-2011108699-A1 | GENE RELATED TO THE ACTION OF ISOFLAVONES | 国立大学法人九州大学 (JP) | 2011-09-09 | — | — | WO | disclosed |
| US-7964586-B2 | by solid phase extraction from pregnant mares urine; contacting the urine with polymeric adsorption resins sufficient to adsorb the estrogen derivatives in the urine, then separating the resulting resin loaded with the mixture, washing and eluting the derivatives | ABBOTT PRODUCTS GMBH (DE) | 2011-06-21 | — | — | US | disclosed |
| US-20070166414-A1 | METHOD FOR ENHANCING TAMOXIFEN EFFICACY AS A CANCER THERAPEUTIC | CONSTANTINOU ANDREAS | 2007-07-19 | — | — | US | disclosed |
| US-20050032767-A1 | Method for obtaining a natural mixture of conjugated equine estrogens | SOLVAY PHARMACEUTICALS GMBH (DE) | 2005-02-10 | — | — | US | disclosed |