Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 6/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 5/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.35 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.35 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31120289 | 0.73 | PDE10A (0.44) | PDE10ANPC1RAB9ASMN1; SMN2TDP1 | |
| SCHEMBL31120328 | 0.68 | HDAC6 (0.56) | PDE10ANPC1RAB9ASMN1; SMN2TDP1 | |
| SCHEMBL8973826 | 0.67 | TDP1 (0.57) | NPC1RAB9ASMN1; SMN2TDP1MEN1 | |
| SCHEMBL28823527 | 0.66 | ALDH1A1 (0.51) | SMN1; SMN2TDP1MEN1KMT2AALDH1A1 | |
| SCHEMBL8312040 | 0.66 | ALDH1A1 (0.54) | RAB9ASMN1; SMN2TDP1MEN1KMT2A | |
| SCHEMBL11817089 | 0.65 | ALDH1A1 (0.52) | SMN1; SMN2TDP1MEN1KMT2AALDH1A1 | |
| SCHEMBL31120345 | 0.65 | PDE10A (0.44) | PDE10ANPC1RAB9ASMN1; SMN2TDP1 | |
| SCHEMBL1441481 | 0.65 | DRD2 (0.46) | MEN1KMT2AALDH1A1 | |
| SCHEMBL9986844 | 0.65 | ALDH1A1 (0.53) | NPC1RAB9ASMN1; SMN2TDP1MEN1 | |
| SCHEMBL29195068 | 0.64 | ALDH1A1 (0.52) | SMN1; SMN2TDP1MEN1KMT2AALDH1A1 |
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-118724857-A | Biochemical reagent for detecting mercapto of biological medicine and preparation method thereof | 中国医学科学院药物研究所 | 2024-10-01 | — | — | CN | disclosed |