Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | P2RY1 known ✓ | P47900 | 8/20 | 0.53 |
| ▸ | P2RY2 known ✓ | P41231 | 3/20 | 0.53 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.52 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.52 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.52 |
| ▸ | RGS12 | O14924 | 1/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 1/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 1/20 | 1.00 |
| ▸ | GNAI1 | P63096 | 1/20 | 1.00 |
| ▸ | ENPP1 | P22413 | 3/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.72 |
| ▸ | NT5E | P21589 | 2/20 | 0.72 |
| ▸ | MEN1 | O00255 | 1/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.72 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.72 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.72 |
| ▸ | ENTPD3 | O75355 | 1/20 | 0.72 |
| ▸ | ENTPD1 | P49961 | 1/20 | 0.72 |
| ▸ | P2RY11 | Q96G91 | 3/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL29502825 | 1.00 | RGS12 (1.00) | RGS12CYP3A4CYP2C9GNAI1ENPP1 | |
| SCHEMBL29430335 | 0.94 | RGS12 (0.90) | RGS12CYP3A4CYP2C9GNAI1ENPP1 | |
| SCHEMBL26219659 | 0.84 | NT5E (1.00) | RGS12CYP3A4CYP2C9GNAI1ENPP1 | |
| SCHEMBL21122194 | 0.84 | NT5E (1.00) | RGS12CYP3A4CYP2C9GNAI1ENPP1 | |
| SCHEMBL13105971 | 0.84 | NT5E (1.00) | RGS12CYP3A4CYP2C9GNAI1ENPP1 | |
| SCHEMBL13096782 | 0.84 | NT5E (1.00) | RGS12CYP3A4CYP2C9GNAI1ENPP1 | |
| SCHEMBL12732611 | 0.84 | NT5E (1.00) | RGS12CYP3A4CYP2C9GNAI1ENPP1 | |
| SCHEMBL31309982 | 0.84 | NT5E (1.00) | RGS12CYP3A4CYP2C9GNAI1ENPP1 | |
| SCHEMBL12648394 | 0.79 | KDM4E (0.73) | RGS12CYP3A4CYP2C9GNAI1ENPP1 | |
| SCHEMBL31685528 | 0.78 | DNPH1 (0.73) | RGS12CYP3A4CYP2C9GNAI1ENPP1 |
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-4698901-A1 | MARKERS FOR PREDICTING THERAPEUTIC EFFICACY OF A T CELL | Charité - Universitätsmedizin Berlin (DE) | 2026-02-25 | — | — | EP | disclosed |
| WO-2024218318-A1 | MARKERS FOR PREDICTING THERAPEUTIC EFFICACY OF A T CELL | CHARITÉ - UNIVERSITÄTSMEDIZIN BERLIN (DE) | 2024-10-24 | — | — | WO | disclosed |