Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Aloe-Emodin. 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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.86 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.86 |
| ▸ | MAOA | P21397 | 3/20 | 0.86 |
| ▸ | MAOB | P27338 | 2/20 | 0.86 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.86 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | TSHR | P16473 | 3/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | RECQL | P46063 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | HPGD | P15428 | 2/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.59 |
| ▸ | FTO | Q9C0B1 | 2/20 | 0.59 |
| ▸ | TTR | P02766 | 1/20 | 0.59 |
| ▸ | BCHE | P06276 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| Aloe-Emodin SCHEMBL5857045 | 1.00 | MEN1 (0.86) | MEN1KMT2AMAOAMAOBEPHX2 | |
| Aloe-Emodin SCHEMBL28079854 | 0.93 | MEN1 (0.94) | MEN1KMT2AMAOAMAOBEPHX2 | |
| Aloe-Emodin SCHEMBL29398579 | 0.93 | MEN1 (1.00) | MEN1KMT2AMAOAMAOBEPHX2 | |
| Aloe-Emodin SCHEMBL309756 | 0.93 | MEN1 (1.00) | MEN1KMT2AMAOAMAOBEPHX2 | |
| Aloe-Emodin SCHEMBL29814516 | 0.93 | MEN1 (1.00) | MEN1KMT2AMAOAMAOBEPHX2 | |
| Aloe-Emodin SCHEMBL28756496 | 0.90 | MEN1 (0.89) | MEN1KMT2AMAOAMAOBEPHX2 | |
| Aloe-Emodin SCHEMBL8827767 | 0.90 | MEN1 (0.94) | MEN1KMT2AMAOAMAOBEPHX2 | |
| Rhein SCHEMBL5017539 | 0.88 | MEN1 (0.80) | MEN1KMT2AMAOAMAOBEPHX2 | |
| Aloe-Emodin SCHEMBL972434 | 0.88 | MEN1 (0.84) | MEN1KMT2AMAOAMAOBEPHX2 | |
| SCHEMBL13475629 | 0.84 | MEN1 (0.78) | MEN1KMT2AMAOAMAOBEPHX2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5652265-A | Production of rhein and rhein derivatives | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 1997-07-29 | — | — | US | claimed |
| WO-1996030034-A1 | PRODUCTION OF RHEIN AND RHEIN DERIVATIVES | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 1996-10-03 | — | — | WO | claimed |
| US-5652265-A | Production of rhein and rhein derivatives | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 1997-07-29 | — | — | US | disclosed |
| WO-1996030034-A1 | PRODUCTION OF RHEIN AND RHEIN DERIVATIVES | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 1996-10-03 | — | — | WO | disclosed |