Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 7/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20008258 | 0.89 | CYP3A4 (0.41) | SMN1; SMN2IDO1CYP3A4ALOX15CASP1 | |
| SCHEMBL20008606 | 0.85 | CYP1A2 (0.38) | KDM4ESMN1; SMN2IDO1CYP3A4ALOX15 | |
| SCHEMBL541805 | 0.84 | ALOX15 (0.45) | SMN1; SMN2IDO1CYP3A4ALOX15CASP1 | |
| SCHEMBL8662272 | 0.82 | CYP1A2 (0.44) | KDM4ESMN1; SMN2IDO1CYP3A4ALOX15 | |
| SCHEMBL18217417 | 0.80 | CYP3A4 (0.41) | SMN1; SMN2IDO1CYP3A4ALOX15CASP1 | |
| SCHEMBL9452735 | 0.79 | CYP1A2 (0.55) | KDM4EHPGDCYP3A4CYP1A2MEN1 | |
| SCHEMBL11307931 | 0.79 | SLC6A2 (0.38) | KDM4ESMN1; SMN2IDO1CYP3A4ALOX15 | |
| SCHEMBL6928728 | 0.78 | TAAR1 (0.55) | TAAR1KDM4ESMN1; SMN2HPGDIDO1 | |
| SCHEMBL7206684 | 0.78 | IDO1 (0.59) | TAAR1KDM4ESMN1; SMN2HPGDIDO1 | |
| SCHEMBL7689047 | 0.77 | ALDH1A1 (0.47) | SMN1; SMN2IDO1CYP3A4ALOX15CASP1 |
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-2840080-B1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF | FUJIFILM CORP (JP) | 2017-12-06 | — | — | EP | disclosed |