Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | IDO1 | P14902 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | TGM2 | P21980 | 1/20 | 0.49 |
| ▸ | CLK1 | P49759 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL20984278 | 0.85 | GAA (0.61) | IDO1GAARAB9AALDH1A1NPC1 | |
| SCHEMBL18707358 | 0.83 | GAA (0.50) | IDO1GAARAB9AALDH1A1NPC1 | |
| SCHEMBL22091065 | 0.81 | GAA (0.49) | TSHRIDO1GAARAB9AALDH1A1 | |
| SCHEMBL5708790 | 0.81 | ALDH1A1 (0.69) | CYP3A4ALOX5TSHRGAARAB9A | |
| SCHEMBL264735 | 0.81 | GAA (0.66) | IDO1GAARAB9AALDH1A1NPC1 | |
| SCHEMBL1222932 | 0.81 | GAA (0.64) | IDO1GAARAB9AALDH1A1TGM2 | |
| SCHEMBL8648511 | 0.79 | GAA (0.76) | CYP3A4ALOX5TSHRIDO1GAA | |
| SCHEMBL790339 | 0.77 | MEN1 (0.52) | IDO1GAARAB9AALDH1A1NPC1 | |
| SCHEMBL13710303 | 0.77 | GAA (0.46) | IDO1GAARAB9AALDH1A1NPC1 | |
| SCHEMBL27625271 | 0.76 | CYP3A4 (0.63) | CYP3A4ALOX5TSHRRAB9AALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115894326-B | 2, 3-Hydrogen substituted aminoindole derivative, preparation method and application thereof | 佛山大学 | 2025-02-11 | — | — | CN | disclosed |
| 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 |
| CN-104945403-A | Tetrahydrobenzo [ e ] [1,2,4] triaza compounds and preparation method thereof | UNIV DALIAN TECH | 2015-09-30 | — | — | CN | disclosed |