Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | CRHBP | P24387 | 2/20 | 0.46 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Oxirane SCHEMBL29388114 | 0.97 | CYP3A4 (0.71) | CYP3A4TDP1ESR1ESR2LMNA | |
| Tetrahydrofuran SCHEMBL3544589 | 0.90 | CYP3A4 (0.60) | CYP3A4TDP1ESR1ESR2LMNA | |
| Tetrahydrofuran SCHEMBL4256459 | 0.87 | CYP3A4 (0.57) | CYP3A4TDP1ESR1ESR2LMNA | |
| Tetrahydrofuran SCHEMBL1007230 | 0.87 | CYP3A4 (0.57) | CYP3A4TDP1ESR1ESR2LMNA | |
| Tetrahydrofuran SCHEMBL2014438 | 0.87 | CYP3A4 (0.57) | CYP3A4TDP1ESR1ESR2LMNA | |
| Fluoride SCHEMBL6035605 | 0.85 | TDP1 (0.92) | CYP3A4TDP1ESR1ESR2LMNA | |
| Fluoride SCHEMBL28990450 | 0.85 | TDP1 (0.92) | CYP3A4TDP1ESR1ESR2LMNA | |
| Fluoride SCHEMBL2551493 | 0.85 | TDP1 (0.92) | CYP3A4TDP1ESR1ESR2LMNA | |
| Fluoride SCHEMBL2551489 | 0.85 | TDP1 (0.92) | CYP3A4TDP1ESR1ESR2LMNA | |
| Fluoride SCHEMBL9231621 | 0.85 | TDP1 (0.92) | CYP3A4TDP1ESR1ESR2LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1163495-C | Pyridine compounds, their preparation method and pharmaceutical compositions contg them | ɪά��ʵ���� | 2004-08-25 | — | — | CN | disclosed |
| CN-1286255-A | Pyridine compounds, their preparation method and pharmaceutical compositions contg them | ADIR (FR) | 2001-03-07 | — | — | CN | disclosed |