Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Pempidine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.69 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.69 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Pempidine SCHEMBL25374670 | 0.87 | TSHR (0.60) | TSHRNFKB1CYP2C19FFAR3 | |
| Pempidine SCHEMBL217663 | 0.84 | TSHR (0.58) | TSHRNFKB1CYP2C19 | |
| Pempidine SCHEMBL4798468 | 0.84 | TSHR (0.58) | TSHRNFKB1CYP2C19 | |
| Pempidine SCHEMBL22408827 | 0.82 | TSHR (0.60) | TSHRNFKB1CYP2C19FFAR3 | |
| Pempidine SCHEMBL933339 | 0.82 | TSHR (1.00) | TSHRNFKB1CYP2C19FFAR3 | |
| Pempidine SCHEMBL28926027 | 0.81 | TSHR (0.58) | TSHRNFKB1CYP2C19 | |
| Pempidine SCHEMBL5050688 | 0.81 | TSHR (0.56) | TSHRNFKB1CYP2C19 | |
| Pempidine SCHEMBL988172 | 0.81 | TSHR (0.56) | TSHRNFKB1CYP2C19 | |
| Pempidine SCHEMBL17292879 | 0.80 | TSHR (0.57) | TSHRNFKB1CYP2C19 | |
| Pempidine SCHEMBL986676 | 0.80 | TSHR (0.57) | TSHRNFKB1CYP2C19 |
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-7862746-B2 | Stabilization of natural composites | BASF SE. (DE) | 2011-01-04 | — | — | US | claimed |
| US-20060183821-A1 | Stabilization of natural composites | CIBA CORPORATION | 2006-08-17 | — | — | US | claimed |
| US-7862746-B2 | Stabilization of natural composites | BASF SE. (DE) | 2011-01-04 | — | — | US | disclosed |
| US-20060183821-A1 | Stabilization of natural composites | CIBA CORPORATION | 2006-08-17 | — | — | US | disclosed |