Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | F10 | P00742 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL16491603 | 0.86 | CYP2C19 (0.34) | CYP2C19CYP3A4ALDH1A1CYP2C9TSHR | |
| SCHEMBL1137710 | 0.84 | CYP2C19 (0.36) | CYP2C19CYP3A4ALDH1A1CYP2C9TSHR | |
| SCHEMBL25619136 | 0.84 | CYP2C19 (0.36) | CYP2C19CYP3A4ALDH1A1CYP2C9TSHR | |
| SCHEMBL7624802 | 0.83 | CYP2C19 (0.35) | CYP2C19CYP3A4ALDH1A1CYP2C9TSHR | |
| SCHEMBL14880000 | 0.82 | CYP2C19 (0.39) | CYP2C19CYP3A4ALDH1A1CYP2C9TSHR | |
| SCHEMBL23925105 | 0.80 | CYP2C19 (0.39) | CYP2C19CYP3A4ALDH1A1CYP2C9TSHR | |
| SCHEMBL28865279 | 0.80 | CYP2C19 (0.39) | CYP2C19CYP3A4ALDH1A1CYP2C9TSHR | |
| SCHEMBL29913619 | 0.80 | CYP2C19 (0.39) | CYP2C19CYP3A4ALDH1A1CYP2C9TSHR | |
| SCHEMBL31695088 | 0.80 | CYP2C19 (0.39) | CYP2C19CYP3A4ALDH1A1CYP2C9TSHR | |
| SCHEMBL5180173 | 0.80 | CYP2C19 (0.39) | CYP2C19CYP3A4ALDH1A1CYP2C9TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0821674-A1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1998-02-04 | — | — | EP | disclosed |