Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Tanshinone Iia Sulfonic Acid. 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 | |
|---|---|---|---|---|
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.60 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 5/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 5/20 | 1.00 |
| ▸ | CES2 | O00748 | 5/20 | 1.00 |
| ▸ | HPGD | P15428 | 4/20 | 1.00 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 3/20 | 1.00 |
| ▸ | BLM | P54132 | 3/20 | 1.00 |
| ▸ | ALOX15 | P16050 | 2/20 | 1.00 |
| ▸ | BRCA1 | P38398 | 2/20 | 1.00 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.60 |
| ▸ | EPAS1 | Q99814 | 5/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.60 |
| ▸ | MAPT | P10636 | 3/20 | 0.60 |
| ▸ | RECQL | P46063 | 3/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.60 |
| ▸ | CES1 | P23141 | 3/20 | 0.60 |
| ▸ | EED | O75530 | 3/20 | 0.60 |
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 | |
|---|---|---|---|---|
| Tanshinone Iia Sulfonic Acid SCHEMBL28665868 | 1.00 | MEN1 (1.00) | MEN1ALDH1A1KMT2ACES2HPGD | |
| SCHEMBL14417881 | 0.88 | MEN1 (0.80) | MEN1ALDH1A1KMT2ACES2HPGD | |
| Tanshinone Iia Sulfonic Acid SCHEMBL14417738 | 0.88 | MEN1 (0.80) | MEN1ALDH1A1KMT2ACES2HPGD | |
| SCHEMBL30853164 | 0.87 | MEN1 (0.76) | MEN1ALDH1A1KMT2ACES2HPGD | |
| SCHEMBL14417878 | 0.80 | MEN1 (0.67) | MEN1ALDH1A1KMT2ACES2HPGD | |
| SCHEMBL14417741 | 0.79 | MEN1 (0.67) | MEN1ALDH1A1KMT2ACES2HPGD | |
| SCHEMBL28411969 | 0.79 | MEN1 (0.67) | MEN1ALDH1A1KMT2ACES2HPGD | |
| SCHEMBL14417875 | 0.79 | MEN1 (0.66) | MEN1ALDH1A1KMT2ACES2HPGD | |
| SCHEMBL14417882 | 0.78 | MEN1 (0.65) | MEN1ALDH1A1KMT2ACES2HPGD | |
| SCHEMBL14417726 | 0.77 | MEN1 (0.64) | MEN1ALDH1A1KMT2ACES2HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4119145-A1 | COMPOUNDS FOR THE TREATMENT OF COVID-19 | Dompe' Farmaceutici S.P.A. (IT) | 2023-01-18 | — | — | EP | claimed |
| EP-4119145-A1 | COMPOUNDS FOR THE TREATMENT OF COVID-19 | Dompe' Farmaceutici S.P.A. (IT) | 2023-01-18 | — | — | EP | disclosed |