Known targets — ChEMBL curated mechanism
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
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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | CA5A | P35218 | 1/20 | 0.30 |
| ▸ | CA5B | Q9Y2D0 | 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 | |
|---|---|---|---|---|
| Pempidine SCHEMBL217663 | 0.84 | TSHR (0.58) | TSHRNFKB1CYP2C19 | |
| Pempidine SCHEMBL28926027 | 0.81 | TSHR (0.58) | TSHRNFKB1CYP2C19 | |
| Pempidine SCHEMBL5050688 | 0.81 | TSHR (0.56) | TSHRNFKB1CYP2C19 | |
| Pempidine SCHEMBL27584101 | 0.81 | TSHR (0.56) | TSHRNFKB1CYP2C19 | |
| Pempidine SCHEMBL17292879 | 0.80 | TSHR (0.57) | TSHRNFKB1CYP2C19 | |
| Pempidine SCHEMBL987199 | 0.80 | TSHR (0.69) | TSHRNFKB1CYP2C19 | |
| Sulfuric Acid SCHEMBL986840 | 0.80 | TSHR (0.38) | TSHRNFKB1CYP2C19CA5ACA5B | |
| Pempidine SCHEMBL27729769 | 0.77 | TSHR (0.54) | TSHRNFKB1CYP2C19 | |
| SCHEMBL21214213 | 0.75 | TSHR (0.50) | TSHRNFKB1CYP2C19 | |
| SCHEMBL28357903 | 0.75 | TSHR (0.38) | 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 |