Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | IDO1 | P14902 | 1/20 | 0.55 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | DHODH | Q02127 | 1/20 | 0.50 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.49 |
| ▸ | KIF11 | P52732 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | TGM2 | P21980 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10384397 | 0.89 | IDO1 (0.52) | CYP3A4ALOX5TSHRIDO1EPHX2 | |
| SCHEMBL20984340 | 0.84 | EPHX2 (0.59) | IDO1EPHX2DHODHTRPV1KIF11 | |
| SCHEMBL1978109 | 0.82 | EPHX2 (0.57) | EPHX2ALDH1A1DHODHTRPV1KIF11 | |
| SCHEMBL9302776 | 0.81 | KIF11 (0.61) | EPHX2ALDH1A1TRPV1KIF11TGM2 | |
| SCHEMBL28191918 | 0.80 | GAA (0.62) | ALOX5IDO1EPHX2ALDH1A1DHODH | |
| SCHEMBL669442 | 0.80 | EPHX2 (0.70) | CYP3A4TSHRIDO1EPHX2ALDH1A1 | |
| SCHEMBL23367251 | 0.78 | TGM2 (0.53) | EPHX2ALDH1A1TRPV1KIF11TGM2 | |
| SCHEMBL14001690 | 0.78 | CYP3A4 (0.63) | CYP3A4ALOX5TSHRIDO1ALDH1A1 | |
| SCHEMBL15540929 | 0.78 | EPHX2 (0.47) | IDO1EPHX2ALDH1A1DHODHTRPV1 | |
| SCHEMBL10942888 | 0.77 | CYP3A4 (0.68) | CYP3A4ALOX5TSHRALDH1A1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115894326-A | 2,3-hydrogen substituted aminoindole derivative, preparation method and application thereof | 佛山科学技术学院 | 2023-04-04 | — | — | CN | disclosed |