Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | NPC1 | O15118 | 5/20 | 0.52 |
| ▸ | RAB9A | P51151 | 5/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | F10 | P00742 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28401432 | 0.87 | GRM5 (0.51) | ALDH1A1NPC1RAB9ALMNAMAPT | |
| SCHEMBL30153252 | 0.86 | SMN1; SMN2 (0.58) | ALDH1A1NPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL28401209 | 0.86 | SMN1; SMN2 (0.58) | ALDH1A1NPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL28405255 | 0.85 | HDAC3 (0.52) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL28399448 | 0.85 | STIM1 (0.49) | ALDH1A1NPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL28400066 | 0.84 | ORAI1 (0.62) | ALDH1A1NPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL28407306 | 0.84 | POLB (0.52) | ALDH1A1NPC1RAB9ALMNAMAPT | |
| SCHEMBL30153384 | 0.83 | STIM1 (0.46) | NPC1SMN1; SMN2MAPTABCG2STIM1 | |
| SCHEMBL28405278 | 0.83 | STIM1 (0.46) | NPC1SMN1; SMN2MAPTABCG2STIM1 | |
| SCHEMBL28401527 | 0.83 | CRACR2A (0.51) | ALDH1A1GAACYP3A4STIM1ORAI1 |
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-111187215-B | Fluorine-containing pyrazole amide derivative, preparation method and application thereof | 西北农林科技大学 | 2023-02-24 | — | — | CN | disclosed |
| CN-111187215-A | Fluorine-containing pyrazole amide derivative, preparation method and application thereof | 西北农林科技大学 | 2020-05-22 | — | — | CN | disclosed |