Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | GPX4 | P36969 | 1/20 | 0.33 |
| ▸ | POLQ | O75417 | 2/20 | 0.33 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.33 |
| ▸ | LTB4R | Q15722 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9058099 | 0.92 | NPC1 (0.36) | NPC1RAB9APAX8JAK2ALDH1A1 | |
| SCHEMBL9016295 | 0.79 | NPC1 (0.39) | NPC1RAB9APAX8JAK2ALDH1A1 | |
| SCHEMBL9058201 | 0.77 | GRM1 (0.37) | NPC1RAB9APAX8JAK2ALDH1A1 | |
| SCHEMBL9016302 | 0.71 | GRM1 (0.38) | ALDH1A1GAAKDM4ESMN1; SMN2TP53 | |
| SCHEMBL8699760 | 0.71 | ALDH1A1 (0.39) | NPC1RAB9AALDH1A1GAAKDM4E | |
| SCHEMBL9058102 | 0.69 | FAAH (0.43) | — | |
| SCHEMBL8701288 | 0.69 | ALDH1A1 (0.40) | NPC1RAB9AALDH1A1GAAKDM4E | |
| SCHEMBL30957362 | 0.67 | NPC1 (0.57) | NPC1RAB9APAX8JAK2ALDH1A1 | |
| SCHEMBL17473048 | 0.67 | NPC1 (0.57) | NPC1RAB9APAX8JAK2ALDH1A1 | |
| SCHEMBL15238260 | 0.67 | NPC1 (0.50) | NPC1RAB9APAX8JAK2ALDH1A1 |
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-0749425-A1 | NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME | SAMJIN PHARM. CO., LTD. (KR) | 1996-12-27 | — | — | EP | disclosed |