Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 5/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | FPR1 | P21462 | 3/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | THRA | P10827 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | 0.80 | PDE10A (0.44) | PDE10ANPC1RAB9ASMN1; SMN2TDP1 | |
| SCHEMBL31120328 | 0.78 | HDAC6 (0.56) | PDE10ANPC1RAB9ASMN1; SMN2TDP1 | |
| SCHEMBL31332579 | 0.72 | HDAC6 (0.54) | PDE10ANPC1RAB9ASMN1; SMN2TDP1 | |
| SCHEMBL1441804 | 0.71 | PDE10A (0.43) | PDE10ANPC1RAB9ASMN1; SMN2TDP1 | |
| SCHEMBL6865892 | 0.71 | PDE10A (0.43) | PDE10ANPC1RAB9ASMN1; SMN2TDP1 | |
| SCHEMBL29145061 | 0.70 | KMT2A (0.39) | SMN1; SMN2TDP1KMT2AALDH1A1CYP1A2 | |
| SCHEMBL13978684 | 0.69 | MAOB (0.53) | NPC1RAB9AKMT2AALDH1A1MAPT | |
| SCHEMBL28314002 | 0.67 | NPC1 (0.53) | NPC1RAB9AKMT2AALDH1A1MAPT | |
| SCHEMBL27844787 | 0.67 | MCL1 (0.45) | SMN1; SMN2KMT2AALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL31120340 | 0.65 | PDE10A (0.39) | PDE10ANPC1RAB9ASMN1; SMN2TDP1 |
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 |