Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 3-Hydroxycoumarin. 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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.51 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 4/20 | 0.83 |
| ▸ | TYR | P14679 | 1/20 | 0.83 |
| ▸ | DAO | P14920 | 1/20 | 0.83 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.83 |
| ▸ | MAOB | P27338 | 8/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.63 |
| ▸ | CA12 | O43570 | 2/20 | 0.63 |
| ▸ | CA9 | Q16790 | 2/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.63 |
| ▸ | NT5E | P21589 | 1/20 | 0.63 |
| ▸ | CA1 | P00915 | 1/20 | 0.60 |
| ▸ | CA3 | P07451 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | CA4 | P22748 | 1/20 | 0.60 |
| ▸ | CA6 | P23280 | 1/20 | 0.60 |
| ▸ | CA5A | P35218 | 1/20 | 0.60 |
| ▸ | CA7 | P43166 | 1/20 | 0.60 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 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 | |
|---|---|---|---|---|
| 3-Hydroxycoumarin SCHEMBL31476361 | 0.93 | HPGD (0.89) | HPGDTYRDAOAKR1B1MAOB | |
| 3-Hydroxycoumarin SCHEMBL29397603 | 0.91 | HPGD (1.00) | HPGDTYRDAOAKR1B1MAOB | |
| 3-Hydroxycoumarin SCHEMBL76090 | 0.91 | HPGD (1.00) | HPGDTYRDAOAKR1B1MAOB | |
| 3-Hydroxycoumarin SCHEMBL31476360 | 0.90 | HPGD (0.83) | HPGDTYRDAOAKR1B1MAOB | |
| 3-Hydroxycoumarin SCHEMBL28258929 | 0.89 | HPGD (0.96) | HPGDTYRDAOAKR1B1MAOB | |
| 3-Hydroxycoumarin SCHEMBL28186257 | 0.88 | HPGD (0.86) | HPGDTYRDAOAKR1B1MAOB | |
| 3-Hydroxycoumarin SCHEMBL27836527 | 0.88 | HPGD (0.86) | HPGDTYRDAOAKR1B1MAOB | |
| 3-Hydroxycoumarin SCHEMBL28179401 | 0.86 | HPGD (0.83) | HPGDTYRDAOAKR1B1MAOB | |
| 3-Hydroxycoumarin SCHEMBL5057156 | 0.86 | HPGD (0.71) | HPGDTYRDAOAKR1B1MAOB | |
| 3-Hydroxycoumarin SCHEMBL5057150 | 0.86 | HPGD (0.71) | HPGDTYRDAOAKR1B1MAOB |
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-20140242606-A1 | PROBE FOR iFRET AND USE THEREOF | KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) | 2014-08-28 | — | — | US | disclosed |
| EP-2725357-A2 | PROBE FOR IFRET AND USAGE OF SAME | Korea Research Institute Of Bioscience And Biotechnology (KR) | 2014-04-30 | — | — | EP | disclosed |
| US-20050019263-A1 | Conjugate for differentiating between healthy and unhealthy tissue | SINN HANNSJORG (DE) | 2005-01-27 | — | — | US | disclosed |
| US-20020037254-A1 | CONJUGATE FOR DIFFERENTIATING BETWEEN HEALTHY AND UNHEALTHY TISSUE | DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OFFENTLICHEN RECHTS (DE) | 2002-03-28 | — | — | US | disclosed |