Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | STAT3 | P40763 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4245548 | 0.89 | LDHA (0.57) | LDHAALOX15CA2ALOX12MMP1 | |
| SCHEMBL14221975 | 0.85 | CYP3A4 (0.61) | LDHAALOX15PKMCA2ALOX12 | |
| SCHEMBL14239569 | 0.83 | ALOX15 (0.63) | LDHAALOX15PKMCA2ALOX12 | |
| SCHEMBL14221347 | 0.79 | LDHA (0.51) | LDHAALOX15PKMCA2ALOX12 | |
| SCHEMBL15070935 | 0.78 | ALOX15 (0.50) | LDHAALOX15PKMALOX12PPARD | |
| SCHEMBL11950523 | 0.75 | CA2 (0.48) | ALOX15PKMCA2SMN1; SMN2LMNA | |
| SCHEMBL14221354 | 0.74 | CYP3A4 (0.58) | LDHAALOX15PKMCA2ALOX12 | |
| SCHEMBL15616350 | 0.74 | ALOX15 (0.63) | LDHAALOX15CA2ALOX12ATM | |
| SCHEMBL20286678 | 0.73 | CA2 (0.63) | ALOX15PKMCA2ATMALDH1A1 | |
| SCHEMBL4072201 | 0.73 | CYP3A4 (0.75) | LDHAALOX15CA2ALOX12MMP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008042921-A2 | TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMACEUTICAL USE | ERIMOS PHARMACEUTICALS LLC (US) | 2008-04-10 | — | — | WO | disclosed |