Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.67 |
| ▸ | RAB9A | P51151 | 4/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | PKM | P14618 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | GAA | P10253 | 3/20 | 0.53 |
| ▸ | TP53 | P04637 | 2/20 | 0.53 |
| ▸ | PGR | P06401 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | DRD1 | P21728 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL30107672 | 1.00 | NPC1 (0.67) | NPC1RAB9AALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL30107673 | 0.89 | NPC1 (0.62) | NPC1RAB9AALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL4083776 | 0.89 | ALDH1A1 (0.54) | NPC1RAB9AALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL1180940 | 0.85 | NR1H4 (0.51) | NPC1RAB9AALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL28633815 | 0.84 | ALDH1A1 (0.72) | NPC1RAB9AALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL7346779 | 0.84 | NPC1 (0.73) | NPC1RAB9AALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL29874794 | 0.81 | NPC1 (1.00) | NPC1RAB9AALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL4188221 | 0.81 | NPC1 (1.00) | NPC1RAB9AALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL4148074 | 0.81 | CYP11B1 (0.61) | NPC1RAB9AALDH1A1CYP3A4CYP2D6 | |
| Acetic Acid SCHEMBL3681231 | 0.80 | NPC1 (0.83) | NPC1RAB9AALDH1A1CYP3A4CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112778192-B | Polyfluoroalkyl-containing isoindolinone benzamide derivatives, and preparation method and application thereof | 浙江省化工研究院有限公司 | 2022-12-02 | — | — | CN | disclosed |
| CN-112778192-A | Polyfluoroalkyl-containing isoindolinone benzamide derivatives, and preparation method and application thereof | 浙江省化工研究院有限公司 | 2021-05-11 | — | — | CN | disclosed |