Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Tributyl Citrate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Tributyl Citrate SCHEMBL29372408 | 0.98 | MEN1 (0.39) | MEN1HPGDRECQLKMT2AHSD17B10 | |
| SCHEMBL30782572 | 0.89 | MEN1 (0.45) | MEN1HPGDRECQLKMT2AHSD17B10 | |
| Triethyl Citrate SCHEMBL30689845 | 0.88 | MEN1 (0.39) | MEN1HPGDRECQLKMT2AHSD17B10 | |
| SCHEMBL2417844 | 0.88 | MEN1 (0.42) | MEN1HPGDRECQLKMT2AHSD17B10 | |
| SCHEMBL29419064 | 0.83 | MEN1 (0.35) | MEN1HPGDRECQLKMT2AHSD17B10 | |
| SCHEMBL31664758 | 0.82 | MEN1 (0.33) | MEN1HPGDRECQLKMT2AHSD17B10 | |
| SCHEMBL588170 | 0.80 | HSPD1 (0.46) | MEN1HPGDRECQLKMT2AHSD17B10 | |
| SCHEMBL2423572 | 0.79 | MEN1 (0.43) | MEN1HPGDRECQLKMT2AHSD17B10 | |
| Tributyl Citrate SCHEMBL4129306 | 0.79 | ALDH1A1 (0.47) | MEN1HPGDRECQLKMT2AALDH1A1 | |
| Tributyl Citrate SCHEMBL28094357 | 0.78 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114705775-A | Serum metabolic marker for pulmonary tuberculosis evaluation and application thereof | 广东省结核病控制中心 | 2022-07-05 | — | — | CN | disclosed |