Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 2/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MITF | O75030 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL224338 | 0.88 | KCNH2 (0.59) | ALDH1A1TDP1CYP3A4KCNH2CYP2A6 | |
| SCHEMBL6056745 | 0.82 | CYP2A6 (0.65) | CYP3A4TSHRKCNH2MAOACYP2A6 | |
| SCHEMBL8827988 | 0.81 | ALDH1A1 (0.82) | ALDH1A1TDP1CYP3A4TSHRMAOA | |
| SCHEMBL3482529 | 0.81 | ALDH1A1 (0.82) | ALDH1A1TDP1CYP3A4TSHRMAOA | |
| SCHEMBL7144807 | 0.81 | ALDH1A1 (0.82) | ALDH1A1TDP1CYP3A4TSHRMAOA | |
| SCHEMBL1271568 | 0.81 | ALDH1A1 (0.82) | ALDH1A1TDP1CYP3A4TSHRMAOA | |
| SCHEMBL3482671 | 0.81 | ALDH1A1 (0.82) | ALDH1A1TDP1CYP3A4TSHRMAOA | |
| SCHEMBL12098596 | 0.81 | ALDH1A1 (0.82) | ALDH1A1TDP1CYP3A4TSHRMAOA | |
| SCHEMBL64458 | 0.81 | ALDH1A1 (0.82) | ALDH1A1TDP1CYP3A4TSHRMAOA | |
| SCHEMBL14542299 | 0.81 | ESR2 (0.54) | KCNH2CYP2A6CYP2E1CYP2B6LTA4H |
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-2007078335-A2 | BIARYL NITROGEN HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION | DECODE GENETICS, EHF. (IS) | 2007-07-12 | — | — | WO | disclosed |